data_5568 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5568 _Entry.Title ; A new member of the split bab fold: Solution structure of the protein encoded by the YML108W open reading frame from Saccharomyces cerevisiae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-10-31 _Entry.Accession_date 2002-11-01 _Entry.Last_release_date 2003-07-07 _Entry.Original_release_date 2003-07-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Antonio Pineda-Lucena . . . 5568 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5568 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 701 5568 '13C chemical shifts' 425 5568 '15N chemical shifts' 92 5568 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-07-07 2002-10-31 original author . 5568 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5568 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22603295 _Citation.DOI . _Citation.PubMed_ID 12717036 _Citation.Full_citation . _Citation.Title ; A Novel Member of the Split Betaaalphabeta Fold: Solution Structure of the Hypothetical Protein YML108W from Saccharomyces cerevisiae ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1136 _Citation.Page_last 1140 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Antonio Pineda-Lucena . . . 5568 1 2 Jack Liao . C. . 5568 1 3 John Cort . R. . 5568 1 4 Adelinda Yee . . . 5568 1 5 Michael Kennedy . A. . 5568 1 6 Aled Edwards . M. . 5568 1 7 Cheryl Arrowsmith . H. . 5568 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_YML108W _Assembly.Sf_category assembly _Assembly.Sf_framecode system_YML108W _Assembly.Entry_ID 5568 _Assembly.ID 1 _Assembly.Name YML108W _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5568 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 YML108W 1 $YML108W . . . native . . . . . 5568 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YML108W system 5568 1 YML108W abbreviation 5568 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YML108W _Entity.Sf_category entity _Entity.Sf_framecode YML108W _Entity.Entry_ID 5568 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YML108W _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSKSNTYRMLVLLEDDTKIN KEDEKFLKGKPGKMHEFVDE LILPFNVDELDELNTWFDKF DAEICIPNEGHIKYEISSDG LIVLMLDKEIEEVVEKVKKF VEENN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1N6Z . "Solution Nmr Structure Of Protein Yml108w From Saccharomyces Cerevisiae. A Novel Member Of The Split Bab Fold. Northeast Struct" . . . . . 99.05 105 100.00 100.00 2.16e-65 . . . . 5568 1 2 no DBJ GAA25341 . "K7_Yml108wp [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 105 100.00 100.00 2.85e-66 . . . . 5568 1 3 no EMBL CAA89110 . "unknown [Saccharomyces cerevisiae]" . . . . . 100.00 105 100.00 100.00 2.85e-66 . . . . 5568 1 4 no EMBL CAY81710 . "EC1118_1M3_0276p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 105 98.10 100.00 1.59e-65 . . . . 5568 1 5 no GB AHY76360 . "hypothetical protein H779_YJM993M00024 [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 105 98.10 100.00 1.59e-65 . . . . 5568 1 6 no GB EDN64286 . "conserved protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 105 98.10 100.00 1.59e-65 . . . . 5568 1 7 no GB EDV11404 . "hypothetical protein SCRG_01791 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 105 98.10 100.00 1.59e-65 . . . . 5568 1 8 no GB EEU05288 . "YML108W-like protein [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 105 98.10 99.05 2.31e-65 . . . . 5568 1 9 no GB EGA57470 . "YML108W-like protein [Saccharomyces cerevisiae FostersB]" . . . . . 100.00 105 98.10 98.10 1.07e-64 . . . . 5568 1 10 no REF NP_013599 . "hypothetical protein YML108W [Saccharomyces cerevisiae S288c]" . . . . . 100.00 105 100.00 100.00 2.85e-66 . . . . 5568 1 11 no SP Q03759 . "RecName: Full=Uncharacterized protein YML108W [Saccharomyces cerevisiae S288c]" . . . . . 100.00 105 100.00 100.00 2.85e-66 . . . . 5568 1 12 no TPG DAA09790 . "TPA: hypothetical protein YML108W [Saccharomyces cerevisiae S288c]" . . . . . 100.00 105 100.00 100.00 2.85e-66 . . . . 5568 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YML108W common 5568 1 YML108W abbreviation 5568 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5568 1 2 . SER . 5568 1 3 . LYS . 5568 1 4 . SER . 5568 1 5 . ASN . 5568 1 6 . THR . 5568 1 7 . TYR . 5568 1 8 . ARG . 5568 1 9 . MET . 5568 1 10 . LEU . 5568 1 11 . VAL . 5568 1 12 . LEU . 5568 1 13 . LEU . 5568 1 14 . GLU . 5568 1 15 . ASP . 5568 1 16 . ASP . 5568 1 17 . THR . 5568 1 18 . LYS . 5568 1 19 . ILE . 5568 1 20 . ASN . 5568 1 21 . LYS . 5568 1 22 . GLU . 5568 1 23 . ASP . 5568 1 24 . GLU . 5568 1 25 . LYS . 5568 1 26 . PHE . 5568 1 27 . LEU . 5568 1 28 . LYS . 5568 1 29 . GLY . 5568 1 30 . LYS . 5568 1 31 . PRO . 5568 1 32 . GLY . 5568 1 33 . LYS . 5568 1 34 . MET . 5568 1 35 . HIS . 5568 1 36 . GLU . 5568 1 37 . PHE . 5568 1 38 . VAL . 5568 1 39 . ASP . 5568 1 40 . GLU . 5568 1 41 . LEU . 5568 1 42 . ILE . 5568 1 43 . LEU . 5568 1 44 . PRO . 5568 1 45 . PHE . 5568 1 46 . ASN . 5568 1 47 . VAL . 5568 1 48 . ASP . 5568 1 49 . GLU . 5568 1 50 . LEU . 5568 1 51 . ASP . 5568 1 52 . GLU . 5568 1 53 . LEU . 5568 1 54 . ASN . 5568 1 55 . THR . 5568 1 56 . TRP . 5568 1 57 . PHE . 5568 1 58 . ASP . 5568 1 59 . LYS . 5568 1 60 . PHE . 5568 1 61 . ASP . 5568 1 62 . ALA . 5568 1 63 . GLU . 5568 1 64 . ILE . 5568 1 65 . CYS . 5568 1 66 . ILE . 5568 1 67 . PRO . 5568 1 68 . ASN . 5568 1 69 . GLU . 5568 1 70 . GLY . 5568 1 71 . HIS . 5568 1 72 . ILE . 5568 1 73 . LYS . 5568 1 74 . TYR . 5568 1 75 . GLU . 5568 1 76 . ILE . 5568 1 77 . SER . 5568 1 78 . SER . 5568 1 79 . ASP . 5568 1 80 . GLY . 5568 1 81 . LEU . 5568 1 82 . ILE . 5568 1 83 . VAL . 5568 1 84 . LEU . 5568 1 85 . MET . 5568 1 86 . LEU . 5568 1 87 . ASP . 5568 1 88 . LYS . 5568 1 89 . GLU . 5568 1 90 . ILE . 5568 1 91 . GLU . 5568 1 92 . GLU . 5568 1 93 . VAL . 5568 1 94 . VAL . 5568 1 95 . GLU . 5568 1 96 . LYS . 5568 1 97 . VAL . 5568 1 98 . LYS . 5568 1 99 . LYS . 5568 1 100 . PHE . 5568 1 101 . VAL . 5568 1 102 . GLU . 5568 1 103 . GLU . 5568 1 104 . ASN . 5568 1 105 . ASN . 5568 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5568 1 . SER 2 2 5568 1 . LYS 3 3 5568 1 . SER 4 4 5568 1 . ASN 5 5 5568 1 . THR 6 6 5568 1 . TYR 7 7 5568 1 . ARG 8 8 5568 1 . MET 9 9 5568 1 . LEU 10 10 5568 1 . VAL 11 11 5568 1 . LEU 12 12 5568 1 . LEU 13 13 5568 1 . GLU 14 14 5568 1 . ASP 15 15 5568 1 . ASP 16 16 5568 1 . THR 17 17 5568 1 . LYS 18 18 5568 1 . ILE 19 19 5568 1 . ASN 20 20 5568 1 . LYS 21 21 5568 1 . GLU 22 22 5568 1 . ASP 23 23 5568 1 . GLU 24 24 5568 1 . LYS 25 25 5568 1 . PHE 26 26 5568 1 . LEU 27 27 5568 1 . LYS 28 28 5568 1 . GLY 29 29 5568 1 . LYS 30 30 5568 1 . PRO 31 31 5568 1 . GLY 32 32 5568 1 . LYS 33 33 5568 1 . MET 34 34 5568 1 . HIS 35 35 5568 1 . GLU 36 36 5568 1 . PHE 37 37 5568 1 . VAL 38 38 5568 1 . ASP 39 39 5568 1 . GLU 40 40 5568 1 . LEU 41 41 5568 1 . ILE 42 42 5568 1 . LEU 43 43 5568 1 . PRO 44 44 5568 1 . PHE 45 45 5568 1 . ASN 46 46 5568 1 . VAL 47 47 5568 1 . ASP 48 48 5568 1 . GLU 49 49 5568 1 . LEU 50 50 5568 1 . ASP 51 51 5568 1 . GLU 52 52 5568 1 . LEU 53 53 5568 1 . ASN 54 54 5568 1 . THR 55 55 5568 1 . TRP 56 56 5568 1 . PHE 57 57 5568 1 . ASP 58 58 5568 1 . LYS 59 59 5568 1 . PHE 60 60 5568 1 . ASP 61 61 5568 1 . ALA 62 62 5568 1 . GLU 63 63 5568 1 . ILE 64 64 5568 1 . CYS 65 65 5568 1 . ILE 66 66 5568 1 . PRO 67 67 5568 1 . ASN 68 68 5568 1 . GLU 69 69 5568 1 . GLY 70 70 5568 1 . HIS 71 71 5568 1 . ILE 72 72 5568 1 . LYS 73 73 5568 1 . TYR 74 74 5568 1 . GLU 75 75 5568 1 . ILE 76 76 5568 1 . SER 77 77 5568 1 . SER 78 78 5568 1 . ASP 79 79 5568 1 . GLY 80 80 5568 1 . LEU 81 81 5568 1 . ILE 82 82 5568 1 . VAL 83 83 5568 1 . LEU 84 84 5568 1 . MET 85 85 5568 1 . LEU 86 86 5568 1 . ASP 87 87 5568 1 . LYS 88 88 5568 1 . GLU 89 89 5568 1 . ILE 90 90 5568 1 . GLU 91 91 5568 1 . GLU 92 92 5568 1 . VAL 93 93 5568 1 . VAL 94 94 5568 1 . GLU 95 95 5568 1 . LYS 96 96 5568 1 . VAL 97 97 5568 1 . LYS 98 98 5568 1 . LYS 99 99 5568 1 . PHE 100 100 5568 1 . VAL 101 101 5568 1 . GLU 102 102 5568 1 . GLU 103 103 5568 1 . ASN 104 104 5568 1 . ASN 105 105 5568 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5568 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $YML108W . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5568 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5568 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $YML108W . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5568 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_SAMPLE_1 _Sample.Sf_category sample _Sample.Sf_framecode SAMPLE_1 _Sample.Entry_ID 5568 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YML108W '[U-13C; U-15N]' . . 1 $YML108W . . . 1.0 1.5 mM . . . . 5568 1 stop_ save_ ####################### # Sample conditions # ####################### save_EXPERIMENTAL_CONDITIONS_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode EXPERIMENTAL_CONDITIONS_1 _Sample_condition_list.Entry_ID 5568 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5568 1 temperature 298 0.5 K 5568 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5568 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5568 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer VARIAN Inova . 600 . . . 5568 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5568 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 15N-HSQC . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 2 13C-HSQC . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 3 HNCO . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 4 HNHA . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 5 HNCA . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 6 HNCACB . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 7 CBCACONH . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 8 CCCTOCSYNH . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 9 CBCACOCAHA . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 10 HCCH-COSY . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 11 HCCH-TOCSY . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 12 15N-NOESY . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 13 13C-NOESY . . . . . . . . . . . 1 $SAMPLE_1 . . . 1 $EXPERIMENTAL_CONDITIONS_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5568 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCCTOCSYNH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCACOCAHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 15N-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5568 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 13C-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5568 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5568 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5568 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5568 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_SHIFT_SET_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode SHIFT_SET_1 _Assigned_chem_shift_list.Entry_ID 5568 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $EXPERIMENTAL_CONDITIONS_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $SAMPLE_1 . 5568 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.7 0.1 . 1 . . . . . . . . 5568 1 2 . 1 1 1 1 MET HA H 1 4.42 0.02 . 1 . . . . . . . . 5568 1 3 . 1 1 1 1 MET CB C 13 32.9 0.1 . 1 . . . . . . . . 5568 1 4 . 1 1 1 1 MET HB2 H 1 2.07 0.02 . 2 . . . . . . . . 5568 1 5 . 1 1 1 1 MET HB3 H 1 1.96 0.02 . 2 . . . . . . . . 5568 1 6 . 1 1 1 1 MET CG C 13 31.9 0.1 . 1 . . . . . . . . 5568 1 7 . 1 1 1 1 MET HG2 H 1 2.46 0.02 . 2 . . . . . . . . 5568 1 8 . 1 1 1 1 MET HG3 H 1 2.38 0.02 . 2 . . . . . . . . 5568 1 9 . 1 1 5 5 ASN CA C 13 53.2 0.1 . 1 . . . . . . . . 5568 1 10 . 1 1 5 5 ASN HA H 1 4.80 0.02 . 1 . . . . . . . . 5568 1 11 . 1 1 5 5 ASN CB C 13 39.0 0.1 . 1 . . . . . . . . 5568 1 12 . 1 1 5 5 ASN HB2 H 1 2.87 0.02 . 2 . . . . . . . . 5568 1 13 . 1 1 5 5 ASN HB3 H 1 2.76 0.02 . 2 . . . . . . . . 5568 1 14 . 1 1 5 5 ASN C C 13 174.6 0.1 . 1 . . . . . . . . 5568 1 15 . 1 1 6 6 THR N N 15 113.4 0.1 . 1 . . . . . . . . 5568 1 16 . 1 1 6 6 THR H H 1 7.77 0.02 . 1 . . . . . . . . 5568 1 17 . 1 1 6 6 THR CA C 13 61.5 0.1 . 1 . . . . . . . . 5568 1 18 . 1 1 6 6 THR HA H 1 4.62 0.02 . 1 . . . . . . . . 5568 1 19 . 1 1 6 6 THR CB C 13 71.1 0.1 . 1 . . . . . . . . 5568 1 20 . 1 1 6 6 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 5568 1 21 . 1 1 6 6 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 5568 1 22 . 1 1 6 6 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 5568 1 23 . 1 1 6 6 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 5568 1 24 . 1 1 6 6 THR CG2 C 13 22.3 0.1 . 1 . . . . . . . . 5568 1 25 . 1 1 6 6 THR C C 13 175.0 0.1 . 1 . . . . . . . . 5568 1 26 . 1 1 7 7 TYR N N 15 122.1 0.1 . 1 . . . . . . . . 5568 1 27 . 1 1 7 7 TYR H H 1 8.36 0.02 . 1 . . . . . . . . 5568 1 28 . 1 1 7 7 TYR CA C 13 60.3 0.1 . 1 . . . . . . . . 5568 1 29 . 1 1 7 7 TYR HA H 1 4.57 0.02 . 1 . . . . . . . . 5568 1 30 . 1 1 7 7 TYR CB C 13 40.7 0.1 . 1 . . . . . . . . 5568 1 31 . 1 1 7 7 TYR HB2 H 1 2.48 0.02 . 1 . . . . . . . . 5568 1 32 . 1 1 7 7 TYR HB3 H 1 2.48 0.02 . 1 . . . . . . . . 5568 1 33 . 1 1 7 7 TYR HD1 H 1 6.91 0.02 . 1 . . . . . . . . 5568 1 34 . 1 1 7 7 TYR HD2 H 1 6.91 0.02 . 1 . . . . . . . . 5568 1 35 . 1 1 7 7 TYR C C 13 175.5 0.1 . 1 . . . . . . . . 5568 1 36 . 1 1 8 8 ARG N N 15 117.9 0.1 . 1 . . . . . . . . 5568 1 37 . 1 1 8 8 ARG H H 1 8.21 0.02 . 1 . . . . . . . . 5568 1 38 . 1 1 8 8 ARG CA C 13 54.2 0.1 . 1 . . . . . . . . 5568 1 39 . 1 1 8 8 ARG HA H 1 5.08 0.02 . 1 . . . . . . . . 5568 1 40 . 1 1 8 8 ARG CB C 13 34.0 0.1 . 1 . . . . . . . . 5568 1 41 . 1 1 8 8 ARG HB2 H 1 1.62 0.02 . 1 . . . . . . . . 5568 1 42 . 1 1 8 8 ARG HB3 H 1 1.62 0.02 . 1 . . . . . . . . 5568 1 43 . 1 1 8 8 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 5568 1 44 . 1 1 8 8 ARG HG2 H 1 1.57 0.02 . 1 . . . . . . . . 5568 1 45 . 1 1 8 8 ARG HG3 H 1 1.57 0.02 . 1 . . . . . . . . 5568 1 46 . 1 1 8 8 ARG CD C 13 43.7 0.1 . 1 . . . . . . . . 5568 1 47 . 1 1 8 8 ARG HD2 H 1 3.12 0.02 . 1 . . . . . . . . 5568 1 48 . 1 1 8 8 ARG HD3 H 1 3.12 0.02 . 1 . . . . . . . . 5568 1 49 . 1 1 8 8 ARG C C 13 173.6 0.1 . 1 . . . . . . . . 5568 1 50 . 1 1 9 9 MET N N 15 122.1 0.1 . 1 . . . . . . . . 5568 1 51 . 1 1 9 9 MET H H 1 9.45 0.02 . 1 . . . . . . . . 5568 1 52 . 1 1 9 9 MET CA C 13 53.5 0.1 . 1 . . . . . . . . 5568 1 53 . 1 1 9 9 MET HA H 1 5.59 0.02 . 1 . . . . . . . . 5568 1 54 . 1 1 9 9 MET CB C 13 38.2 0.1 . 1 . . . . . . . . 5568 1 55 . 1 1 9 9 MET HB2 H 1 1.99 0.02 . 2 . . . . . . . . 5568 1 56 . 1 1 9 9 MET HB3 H 1 1.68 0.02 . 2 . . . . . . . . 5568 1 57 . 1 1 9 9 MET CG C 13 31.4 0.1 . 1 . . . . . . . . 5568 1 58 . 1 1 9 9 MET HG2 H 1 2.06 0.02 . 1 . . . . . . . . 5568 1 59 . 1 1 9 9 MET HG3 H 1 2.06 0.02 . 1 . . . . . . . . 5568 1 60 . 1 1 9 9 MET HE1 H 1 1.73 0.02 . 1 . . . . . . . . 5568 1 61 . 1 1 9 9 MET HE2 H 1 1.73 0.02 . 1 . . . . . . . . 5568 1 62 . 1 1 9 9 MET HE3 H 1 1.73 0.02 . 1 . . . . . . . . 5568 1 63 . 1 1 9 9 MET CE C 13 16.9 0.1 . 1 . . . . . . . . 5568 1 64 . 1 1 9 9 MET C C 13 174.2 0.1 . 1 . . . . . . . . 5568 1 65 . 1 1 10 10 LEU N N 15 130.1 0.1 . 1 . . . . . . . . 5568 1 66 . 1 1 10 10 LEU H H 1 9.40 0.02 . 1 . . . . . . . . 5568 1 67 . 1 1 10 10 LEU CA C 13 54.0 0.1 . 1 . . . . . . . . 5568 1 68 . 1 1 10 10 LEU HA H 1 4.93 0.02 . 1 . . . . . . . . 5568 1 69 . 1 1 10 10 LEU CB C 13 43.9 0.1 . 1 . . . . . . . . 5568 1 70 . 1 1 10 10 LEU HB2 H 1 1.70 0.02 . 1 . . . . . . . . 5568 1 71 . 1 1 10 10 LEU HB3 H 1 1.70 0.02 . 1 . . . . . . . . 5568 1 72 . 1 1 10 10 LEU CG C 13 27.8 0.1 . 1 . . . . . . . . 5568 1 73 . 1 1 10 10 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 5568 1 74 . 1 1 10 10 LEU HD11 H 1 1.01 0.02 . 1 . . . . . . . . 5568 1 75 . 1 1 10 10 LEU HD12 H 1 1.01 0.02 . 1 . . . . . . . . 5568 1 76 . 1 1 10 10 LEU HD13 H 1 1.01 0.02 . 1 . . . . . . . . 5568 1 77 . 1 1 10 10 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 5568 1 78 . 1 1 10 10 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 5568 1 79 . 1 1 10 10 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 5568 1 80 . 1 1 10 10 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 5568 1 81 . 1 1 10 10 LEU C C 13 174.3 0.1 . 1 . . . . . . . . 5568 1 82 . 1 1 11 11 VAL N N 15 124.8 0.1 . 1 . . . . . . . . 5568 1 83 . 1 1 11 11 VAL H H 1 8.89 0.02 . 1 . . . . . . . . 5568 1 84 . 1 1 11 11 VAL CA C 13 62.5 0.1 . 1 . . . . . . . . 5568 1 85 . 1 1 11 11 VAL HA H 1 4.67 0.02 . 1 . . . . . . . . 5568 1 86 . 1 1 11 11 VAL CB C 13 32.4 0.1 . 1 . . . . . . . . 5568 1 87 . 1 1 11 11 VAL HB H 1 1.89 0.02 . 1 . . . . . . . . 5568 1 88 . 1 1 11 11 VAL CG1 C 13 21.2 0.1 . 1 . . . . . . . . 5568 1 89 . 1 1 11 11 VAL HG11 H 1 0.93 0.02 . 1 . . . . . . . . 5568 1 90 . 1 1 11 11 VAL HG12 H 1 0.93 0.02 . 1 . . . . . . . . 5568 1 91 . 1 1 11 11 VAL HG13 H 1 0.93 0.02 . 1 . . . . . . . . 5568 1 92 . 1 1 11 11 VAL HG21 H 1 0.93 0.02 . 1 . . . . . . . . 5568 1 93 . 1 1 11 11 VAL HG22 H 1 0.93 0.02 . 1 . . . . . . . . 5568 1 94 . 1 1 11 11 VAL HG23 H 1 0.93 0.02 . 1 . . . . . . . . 5568 1 95 . 1 1 11 11 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 5568 1 96 . 1 1 12 12 LEU N N 15 127.8 0.1 . 1 . . . . . . . . 5568 1 97 . 1 1 12 12 LEU H H 1 9.23 0.02 . 1 . . . . . . . . 5568 1 98 . 1 1 12 12 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . 5568 1 99 . 1 1 12 12 LEU HA H 1 5.28 0.02 . 1 . . . . . . . . 5568 1 100 . 1 1 12 12 LEU CB C 13 45.6 0.1 . 1 . . . . . . . . 5568 1 101 . 1 1 12 12 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 5568 1 102 . 1 1 12 12 LEU HB3 H 1 1.37 0.02 . 2 . . . . . . . . 5568 1 103 . 1 1 12 12 LEU CG C 13 27.7 0.1 . 1 . . . . . . . . 5568 1 104 . 1 1 12 12 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 5568 1 105 . 1 1 12 12 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 5568 1 106 . 1 1 12 12 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 5568 1 107 . 1 1 12 12 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 5568 1 108 . 1 1 12 12 LEU HD21 H 1 0.61 0.02 . 2 . . . . . . . . 5568 1 109 . 1 1 12 12 LEU HD22 H 1 0.61 0.02 . 2 . . . . . . . . 5568 1 110 . 1 1 12 12 LEU HD23 H 1 0.61 0.02 . 2 . . . . . . . . 5568 1 111 . 1 1 12 12 LEU CD1 C 13 24.3 0.1 . 1 . . . . . . . . 5568 1 112 . 1 1 12 12 LEU CD2 C 13 25.9 0.1 . 1 . . . . . . . . 5568 1 113 . 1 1 12 12 LEU C C 13 175.2 0.1 . 1 . . . . . . . . 5568 1 114 . 1 1 13 13 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 5568 1 115 . 1 1 13 13 LEU H H 1 8.97 0.02 . 1 . . . . . . . . 5568 1 116 . 1 1 13 13 LEU CA C 13 52.9 0.1 . 1 . . . . . . . . 5568 1 117 . 1 1 13 13 LEU HA H 1 5.42 0.02 . 1 . . . . . . . . 5568 1 118 . 1 1 13 13 LEU CB C 13 45.6 0.1 . 1 . . . . . . . . 5568 1 119 . 1 1 13 13 LEU HB2 H 1 1.49 0.02 . 1 . . . . . . . . 5568 1 120 . 1 1 13 13 LEU HB3 H 1 1.49 0.02 . 1 . . . . . . . . 5568 1 121 . 1 1 13 13 LEU CG C 13 25.5 0.1 . 1 . . . . . . . . 5568 1 122 . 1 1 13 13 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 5568 1 123 . 1 1 13 13 LEU CD1 C 13 25.4 0.1 . 1 . . . . . . . . 5568 1 124 . 1 1 13 13 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 125 . 1 1 13 13 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 126 . 1 1 13 13 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 127 . 1 1 13 13 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 128 . 1 1 13 13 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 129 . 1 1 13 13 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 130 . 1 1 13 13 LEU C C 13 176.7 0.1 . 1 . . . . . . . . 5568 1 131 . 1 1 14 14 GLU N N 15 126.5 0.1 . 1 . . . . . . . . 5568 1 132 . 1 1 14 14 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 5568 1 133 . 1 1 14 14 GLU CA C 13 56.2 0.1 . 1 . . . . . . . . 5568 1 134 . 1 1 14 14 GLU HA H 1 4.57 0.02 . 1 . . . . . . . . 5568 1 135 . 1 1 14 14 GLU CB C 13 32.5 0.1 . 1 . . . . . . . . 5568 1 136 . 1 1 14 14 GLU HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5568 1 137 . 1 1 14 14 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5568 1 138 . 1 1 14 14 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5568 1 139 . 1 1 14 14 GLU C C 13 174.4 0.1 . 1 . . . . . . . . 5568 1 140 . 1 1 15 15 ASP N N 15 125.9 0.1 . 1 . . . . . . . . 5568 1 141 . 1 1 15 15 ASP H H 1 8.74 0.02 . 1 . . . . . . . . 5568 1 142 . 1 1 15 15 ASP CA C 13 53.1 0.1 . 1 . . . . . . . . 5568 1 143 . 1 1 15 15 ASP HA H 1 4.96 0.02 . 1 . . . . . . . . 5568 1 144 . 1 1 15 15 ASP CB C 13 43.0 0.1 . 1 . . . . . . . . 5568 1 145 . 1 1 15 15 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5568 1 146 . 1 1 15 15 ASP HB3 H 1 2.50 0.02 . 2 . . . . . . . . 5568 1 147 . 1 1 15 15 ASP C C 13 175.7 0.1 . 1 . . . . . . . . 5568 1 148 . 1 1 16 16 ASP N N 15 123.7 0.1 . 1 . . . . . . . . 5568 1 149 . 1 1 16 16 ASP H H 1 8.70 0.02 . 1 . . . . . . . . 5568 1 150 . 1 1 16 16 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 5568 1 151 . 1 1 16 16 ASP HA H 1 4.77 0.02 . 1 . . . . . . . . 5568 1 152 . 1 1 16 16 ASP CB C 13 41.4 0.1 . 1 . . . . . . . . 5568 1 153 . 1 1 16 16 ASP HB2 H 1 2.73 0.02 . 2 . . . . . . . . 5568 1 154 . 1 1 16 16 ASP HB3 H 1 2.67 0.02 . 2 . . . . . . . . 5568 1 155 . 1 1 16 16 ASP C C 13 176.9 0.1 . 1 . . . . . . . . 5568 1 156 . 1 1 17 17 THR N N 15 114.0 0.1 . 1 . . . . . . . . 5568 1 157 . 1 1 17 17 THR H H 1 8.33 0.02 . 1 . . . . . . . . 5568 1 158 . 1 1 17 17 THR CA C 13 63.0 0.1 . 1 . . . . . . . . 5568 1 159 . 1 1 17 17 THR HA H 1 4.20 0.02 . 1 . . . . . . . . 5568 1 160 . 1 1 17 17 THR CB C 13 69.7 0.1 . 1 . . . . . . . . 5568 1 161 . 1 1 17 17 THR HB H 1 4.19 0.02 . 1 . . . . . . . . 5568 1 162 . 1 1 17 17 THR HG21 H 1 1.22 0.02 . 1 . . . . . . . . 5568 1 163 . 1 1 17 17 THR HG22 H 1 1.22 0.02 . 1 . . . . . . . . 5568 1 164 . 1 1 17 17 THR HG23 H 1 1.22 0.02 . 1 . . . . . . . . 5568 1 165 . 1 1 17 17 THR CG2 C 13 21.8 0.1 . 1 . . . . . . . . 5568 1 166 . 1 1 17 17 THR C C 13 175.1 0.1 . 1 . . . . . . . . 5568 1 167 . 1 1 18 18 LYS N N 15 123.1 0.1 . 1 . . . . . . . . 5568 1 168 . 1 1 18 18 LYS H H 1 8.15 0.02 . 1 . . . . . . . . 5568 1 169 . 1 1 18 18 LYS CA C 13 56.3 0.1 . 1 . . . . . . . . 5568 1 170 . 1 1 18 18 LYS HA H 1 4.34 0.02 . 1 . . . . . . . . 5568 1 171 . 1 1 18 18 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5568 1 172 . 1 1 18 18 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 5568 1 173 . 1 1 18 18 LYS HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5568 1 174 . 1 1 18 18 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5568 1 175 . 1 1 18 18 LYS HG2 H 1 1.41 0.02 . 2 . . . . . . . . 5568 1 176 . 1 1 18 18 LYS HG3 H 1 1.36 0.02 . 2 . . . . . . . . 5568 1 177 . 1 1 18 18 LYS CD C 13 28.9 0.1 . 1 . . . . . . . . 5568 1 178 . 1 1 18 18 LYS HD2 H 1 1.67 0.02 . 1 . . . . . . . . 5568 1 179 . 1 1 18 18 LYS HD3 H 1 1.67 0.02 . 1 . . . . . . . . 5568 1 180 . 1 1 18 18 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5568 1 181 . 1 1 18 18 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5568 1 182 . 1 1 18 18 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5568 1 183 . 1 1 18 18 LYS C C 13 176.4 0.1 . 1 . . . . . . . . 5568 1 184 . 1 1 19 19 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 5568 1 185 . 1 1 19 19 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 5568 1 186 . 1 1 19 19 ILE CA C 13 60.9 0.1 . 1 . . . . . . . . 5568 1 187 . 1 1 19 19 ILE HA H 1 4.14 0.02 . 1 . . . . . . . . 5568 1 188 . 1 1 19 19 ILE CB C 13 39.2 0.1 . 1 . . . . . . . . 5568 1 189 . 1 1 19 19 ILE HB H 1 1.82 0.02 . 1 . . . . . . . . 5568 1 190 . 1 1 19 19 ILE HG21 H 1 0.86 0.02 . 1 . . . . . . . . 5568 1 191 . 1 1 19 19 ILE HG22 H 1 0.86 0.02 . 1 . . . . . . . . 5568 1 192 . 1 1 19 19 ILE HG23 H 1 0.86 0.02 . 1 . . . . . . . . 5568 1 193 . 1 1 19 19 ILE CG2 C 13 17.7 0.1 . 1 . . . . . . . . 5568 1 194 . 1 1 19 19 ILE CG1 C 13 27.3 0.1 . 1 . . . . . . . . 5568 1 195 . 1 1 19 19 ILE HG12 H 1 1.43 0.02 . 2 . . . . . . . . 5568 1 196 . 1 1 19 19 ILE HG13 H 1 1.14 0.02 . 2 . . . . . . . . 5568 1 197 . 1 1 19 19 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 5568 1 198 . 1 1 19 19 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 5568 1 199 . 1 1 19 19 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 5568 1 200 . 1 1 19 19 ILE CD1 C 13 13.2 0.1 . 1 . . . . . . . . 5568 1 201 . 1 1 19 19 ILE C C 13 175.6 0.1 . 1 . . . . . . . . 5568 1 202 . 1 1 20 20 ASN CA C 13 56.5 0.1 . 1 . . . . . . . . 5568 1 203 . 1 1 20 20 ASN HA H 1 5.28 0.02 . 1 . . . . . . . . 5568 1 204 . 1 1 20 20 ASN CB C 13 34.3 0.1 . 1 . . . . . . . . 5568 1 205 . 1 1 20 20 ASN HB2 H 1 2.96 0.02 . 1 . . . . . . . . 5568 1 206 . 1 1 20 20 ASN HB3 H 1 2.96 0.02 . 1 . . . . . . . . 5568 1 207 . 1 1 20 20 ASN C C 13 174.8 0.1 . 1 . . . . . . . . 5568 1 208 . 1 1 21 21 LYS CA C 13 54.2 0.1 . 1 . . . . . . . . 5568 1 209 . 1 1 21 21 LYS HA H 1 4.65 0.02 . 1 . . . . . . . . 5568 1 210 . 1 1 21 21 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5568 1 211 . 1 1 21 21 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 5568 1 212 . 1 1 21 21 LYS HB3 H 1 1.74 0.02 . 2 . . . . . . . . 5568 1 213 . 1 1 21 21 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5568 1 214 . 1 1 21 21 LYS HG2 H 1 1.45 0.02 . 1 . . . . . . . . 5568 1 215 . 1 1 21 21 LYS HG3 H 1 1.45 0.02 . 1 . . . . . . . . 5568 1 216 . 1 1 21 21 LYS CE C 13 42.8 0.1 . 1 . . . . . . . . 5568 1 217 . 1 1 21 21 LYS C C 13 174.3 0.1 . 1 . . . . . . . . 5568 1 218 . 1 1 22 22 GLU CA C 13 57.5 0.1 . 1 . . . . . . . . 5568 1 219 . 1 1 22 22 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 5568 1 220 . 1 1 22 22 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5568 1 221 . 1 1 22 22 GLU HB2 H 1 2.12 0.02 . 2 . . . . . . . . 5568 1 222 . 1 1 22 22 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 5568 1 223 . 1 1 22 22 GLU CG C 13 36.3 0.1 . 1 . . . . . . . . 5568 1 224 . 1 1 22 22 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 5568 1 225 . 1 1 22 22 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 5568 1 226 . 1 1 22 22 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5568 1 227 . 1 1 23 23 ASP N N 15 119.8 0.1 . 1 . . . . . . . . 5568 1 228 . 1 1 23 23 ASP H H 1 8.10 0.02 . 1 . . . . . . . . 5568 1 229 . 1 1 23 23 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5568 1 230 . 1 1 23 23 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 5568 1 231 . 1 1 23 23 ASP CB C 13 41.6 0.1 . 1 . . . . . . . . 5568 1 232 . 1 1 23 23 ASP HB2 H 1 2.80 0.02 . 2 . . . . . . . . 5568 1 233 . 1 1 23 23 ASP HB3 H 1 2.73 0.02 . 2 . . . . . . . . 5568 1 234 . 1 1 23 23 ASP C C 13 176.8 0.1 . 1 . . . . . . . . 5568 1 235 . 1 1 24 24 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 5568 1 236 . 1 1 24 24 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 5568 1 237 . 1 1 24 24 GLU CA C 13 57.9 0.1 . 1 . . . . . . . . 5568 1 238 . 1 1 24 24 GLU HA H 1 4.13 0.02 . 1 . . . . . . . . 5568 1 239 . 1 1 24 24 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5568 1 240 . 1 1 24 24 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 5568 1 241 . 1 1 24 24 GLU HB3 H 1 2.01 0.02 . 1 . . . . . . . . 5568 1 242 . 1 1 24 24 GLU CG C 13 36.4 0.1 . 1 . . . . . . . . 5568 1 243 . 1 1 24 24 GLU HG2 H 1 2.26 0.02 . 2 . . . . . . . . 5568 1 244 . 1 1 24 24 GLU HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5568 1 245 . 1 1 24 24 GLU C C 13 177.0 0.1 . 1 . . . . . . . . 5568 1 246 . 1 1 25 25 LYS N N 15 119.8 0.1 . 1 . . . . . . . . 5568 1 247 . 1 1 25 25 LYS H H 1 8.23 0.02 . 1 . . . . . . . . 5568 1 248 . 1 1 25 25 LYS CA C 13 57.4 0.1 . 1 . . . . . . . . 5568 1 249 . 1 1 25 25 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 5568 1 250 . 1 1 25 25 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5568 1 251 . 1 1 25 25 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 5568 1 252 . 1 1 25 25 LYS HB3 H 1 1.21 0.02 . 2 . . . . . . . . 5568 1 253 . 1 1 25 25 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5568 1 254 . 1 1 25 25 LYS HG2 H 1 1.21 0.02 . 1 . . . . . . . . 5568 1 255 . 1 1 25 25 LYS HG3 H 1 1.21 0.02 . 1 . . . . . . . . 5568 1 256 . 1 1 25 25 LYS CD C 13 29.1 0.1 . 1 . . . . . . . . 5568 1 257 . 1 1 25 25 LYS HD2 H 1 1.58 0.02 . 1 . . . . . . . . 5568 1 258 . 1 1 25 25 LYS HD3 H 1 1.58 0.02 . 1 . . . . . . . . 5568 1 259 . 1 1 25 25 LYS CE C 13 45.4 0.1 . 1 . . . . . . . . 5568 1 260 . 1 1 25 25 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5568 1 261 . 1 1 25 25 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5568 1 262 . 1 1 25 25 LYS C C 13 176.8 0.1 . 1 . . . . . . . . 5568 1 263 . 1 1 26 26 PHE N N 15 119.0 0.1 . 1 . . . . . . . . 5568 1 264 . 1 1 26 26 PHE H H 1 8.02 0.02 . 1 . . . . . . . . 5568 1 265 . 1 1 26 26 PHE CA C 13 58.0 0.1 . 1 . . . . . . . . 5568 1 266 . 1 1 26 26 PHE HA H 1 4.58 0.02 . 1 . . . . . . . . 5568 1 267 . 1 1 26 26 PHE CB C 13 39.4 0.1 . 1 . . . . . . . . 5568 1 268 . 1 1 26 26 PHE HB2 H 1 3.20 0.02 . 2 . . . . . . . . 5568 1 269 . 1 1 26 26 PHE HB3 H 1 3.03 0.02 . 2 . . . . . . . . 5568 1 270 . 1 1 26 26 PHE HD1 H 1 7.26 0.02 . 1 . . . . . . . . 5568 1 271 . 1 1 26 26 PHE HD2 H 1 7.26 0.02 . 1 . . . . . . . . 5568 1 272 . 1 1 26 26 PHE C C 13 175.9 0.1 . 1 . . . . . . . . 5568 1 273 . 1 1 27 27 LEU N N 15 122.1 0.1 . 1 . . . . . . . . 5568 1 274 . 1 1 27 27 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 5568 1 275 . 1 1 27 27 LEU CA C 13 55.3 0.1 . 1 . . . . . . . . 5568 1 276 . 1 1 27 27 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5568 1 277 . 1 1 27 27 LEU CB C 13 42.4 0.1 . 1 . . . . . . . . 5568 1 278 . 1 1 27 27 LEU HB2 H 1 1.57 0.02 . 2 . . . . . . . . 5568 1 279 . 1 1 27 27 LEU HB3 H 1 1.52 0.02 . 2 . . . . . . . . 5568 1 280 . 1 1 27 27 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5568 1 281 . 1 1 27 27 LEU HG H 1 1.53 0.02 . 1 . . . . . . . . 5568 1 282 . 1 1 27 27 LEU HD11 H 1 0.85 0.02 . 2 . . . . . . . . 5568 1 283 . 1 1 27 27 LEU HD12 H 1 0.85 0.02 . 2 . . . . . . . . 5568 1 284 . 1 1 27 27 LEU HD13 H 1 0.85 0.02 . 2 . . . . . . . . 5568 1 285 . 1 1 27 27 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5568 1 286 . 1 1 27 27 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5568 1 287 . 1 1 27 27 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5568 1 288 . 1 1 27 27 LEU CD1 C 13 24.9 0.1 . 1 . . . . . . . . 5568 1 289 . 1 1 27 27 LEU CD2 C 13 23.5 0.1 . 1 . . . . . . . . 5568 1 290 . 1 1 27 27 LEU C C 13 177.0 0.1 . 1 . . . . . . . . 5568 1 291 . 1 1 28 28 LYS CA C 13 56.8 0.1 . 1 . . . . . . . . 5568 1 292 . 1 1 28 28 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 5568 1 293 . 1 1 28 28 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5568 1 294 . 1 1 28 28 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5568 1 295 . 1 1 28 28 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 5568 1 296 . 1 1 28 28 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5568 1 297 . 1 1 28 28 LYS HG2 H 1 1.50 0.02 . 2 . . . . . . . . 5568 1 298 . 1 1 28 28 LYS HG3 H 1 1.44 0.02 . 2 . . . . . . . . 5568 1 299 . 1 1 28 28 LYS CD C 13 29.5 0.1 . 1 . . . . . . . . 5568 1 300 . 1 1 28 28 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 5568 1 301 . 1 1 28 28 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 5568 1 302 . 1 1 28 28 LYS CE C 13 42.6 0.1 . 1 . . . . . . . . 5568 1 303 . 1 1 28 28 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 5568 1 304 . 1 1 28 28 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 5568 1 305 . 1 1 28 28 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5568 1 306 . 1 1 29 29 GLY CA C 13 45.4 0.1 . 1 . . . . . . . . 5568 1 307 . 1 1 29 29 GLY C C 13 176.9 0.1 . 1 . . . . . . . . 5568 1 308 . 1 1 30 30 LYS N N 15 121.4 0.1 . 1 . . . . . . . . 5568 1 309 . 1 1 30 30 LYS H H 1 8.03 0.02 . 1 . . . . . . . . 5568 1 310 . 1 1 30 30 LYS CA C 13 55.3 0.1 . 1 . . . . . . . . 5568 1 311 . 1 1 30 30 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 5568 1 312 . 1 1 30 30 LYS CB C 13 32.7 0.1 . 1 . . . . . . . . 5568 1 313 . 1 1 30 30 LYS HB2 H 1 1.65 0.02 . 1 . . . . . . . . 5568 1 314 . 1 1 30 30 LYS HB3 H 1 1.65 0.02 . 1 . . . . . . . . 5568 1 315 . 1 1 30 30 LYS HG2 H 1 1.29 0.02 . 1 . . . . . . . . 5568 1 316 . 1 1 30 30 LYS HG3 H 1 1.29 0.02 . 1 . . . . . . . . 5568 1 317 . 1 1 31 31 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5568 1 318 . 1 1 31 31 PRO CA C 13 63.7 0.1 . 1 . . . . . . . . 5568 1 319 . 1 1 31 31 PRO HA H 1 4.44 0.02 . 1 . . . . . . . . 5568 1 320 . 1 1 31 31 PRO CB C 13 30.3 0.1 . 1 . . . . . . . . 5568 1 321 . 1 1 31 31 PRO HB2 H 1 1.95 0.02 . 1 . . . . . . . . 5568 1 322 . 1 1 31 31 PRO HB3 H 1 1.95 0.02 . 1 . . . . . . . . 5568 1 323 . 1 1 31 31 PRO CG C 13 27.4 0.1 . 1 . . . . . . . . 5568 1 324 . 1 1 31 31 PRO HG2 H 1 2.00 0.02 . 2 . . . . . . . . 5568 1 325 . 1 1 31 31 PRO HG3 H 1 1.93 0.02 . 2 . . . . . . . . 5568 1 326 . 1 1 31 31 PRO HD2 H 1 3.74 0.02 . 2 . . . . . . . . 5568 1 327 . 1 1 31 31 PRO HD3 H 1 3.61 0.02 . 2 . . . . . . . . 5568 1 328 . 1 1 31 31 PRO C C 13 175.2 0.1 . 1 . . . . . . . . 5568 1 329 . 1 1 32 32 GLY CA C 13 45.3 0.1 . 1 . . . . . . . . 5568 1 330 . 1 1 32 32 GLY C C 13 175.9 0.1 . 1 . . . . . . . . 5568 1 331 . 1 1 33 33 LYS N N 15 120.2 0.1 . 1 . . . . . . . . 5568 1 332 . 1 1 33 33 LYS H H 1 8.16 0.02 . 1 . . . . . . . . 5568 1 333 . 1 1 33 33 LYS CA C 13 56.0 0.1 . 1 . . . . . . . . 5568 1 334 . 1 1 33 33 LYS HA H 1 4.50 0.02 . 1 . . . . . . . . 5568 1 335 . 1 1 33 33 LYS CB C 13 33.7 0.1 . 1 . . . . . . . . 5568 1 336 . 1 1 33 33 LYS HB2 H 1 1.73 0.02 . 1 . . . . . . . . 5568 1 337 . 1 1 33 33 LYS HB3 H 1 1.73 0.02 . 1 . . . . . . . . 5568 1 338 . 1 1 33 33 LYS CG C 13 25.0 0.1 . 1 . . . . . . . . 5568 1 339 . 1 1 33 33 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 5568 1 340 . 1 1 33 33 LYS HG3 H 1 1.40 0.02 . 2 . . . . . . . . 5568 1 341 . 1 1 33 33 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5568 1 342 . 1 1 33 33 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 5568 1 343 . 1 1 33 33 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 5568 1 344 . 1 1 33 33 LYS CE C 13 43.0 0.1 . 1 . . . . . . . . 5568 1 345 . 1 1 33 33 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 5568 1 346 . 1 1 33 33 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 5568 1 347 . 1 1 33 33 LYS C C 13 176.0 0.1 . 1 . . . . . . . . 5568 1 348 . 1 1 34 34 MET CA C 13 54.9 0.1 . 1 . . . . . . . . 5568 1 349 . 1 1 34 34 MET HA H 1 4.83 0.02 . 1 . . . . . . . . 5568 1 350 . 1 1 34 34 MET CB C 13 34.0 0.1 . 1 . . . . . . . . 5568 1 351 . 1 1 34 34 MET HB2 H 1 1.68 0.02 . 1 . . . . . . . . 5568 1 352 . 1 1 34 34 MET HB3 H 1 1.68 0.02 . 1 . . . . . . . . 5568 1 353 . 1 1 34 34 MET CG C 13 32.0 0.1 . 1 . . . . . . . . 5568 1 354 . 1 1 34 34 MET C C 13 174.9 0.1 . 1 . . . . . . . . 5568 1 355 . 1 1 35 35 HIS N N 15 119.3 0.1 . 1 . . . . . . . . 5568 1 356 . 1 1 35 35 HIS H H 1 8.19 0.02 . 1 . . . . . . . . 5568 1 357 . 1 1 35 35 HIS CA C 13 56.9 0.1 . 1 . . . . . . . . 5568 1 358 . 1 1 35 35 HIS HA H 1 4.56 0.02 . 1 . . . . . . . . 5568 1 359 . 1 1 35 35 HIS CB C 13 31.0 0.1 . 1 . . . . . . . . 5568 1 360 . 1 1 35 35 HIS HB2 H 1 3.05 0.02 . 1 . . . . . . . . 5568 1 361 . 1 1 35 35 HIS HB3 H 1 3.05 0.02 . 1 . . . . . . . . 5568 1 362 . 1 1 35 35 HIS HD2 H 1 6.94 0.02 . 1 . . . . . . . . 5568 1 363 . 1 1 35 35 HIS C C 13 175.6 0.1 . 1 . . . . . . . . 5568 1 364 . 1 1 36 36 GLU N N 15 122.3 0.1 . 1 . . . . . . . . 5568 1 365 . 1 1 36 36 GLU H H 1 9.03 0.02 . 1 . . . . . . . . 5568 1 366 . 1 1 36 36 GLU CA C 13 54.7 0.1 . 1 . . . . . . . . 5568 1 367 . 1 1 36 36 GLU HA H 1 4.76 0.02 . 1 . . . . . . . . 5568 1 368 . 1 1 36 36 GLU CB C 13 32.7 0.1 . 1 . . . . . . . . 5568 1 369 . 1 1 36 36 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5568 1 370 . 1 1 36 36 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5568 1 371 . 1 1 36 36 GLU CG C 13 35.8 0.1 . 1 . . . . . . . . 5568 1 372 . 1 1 36 36 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 5568 1 373 . 1 1 36 36 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 5568 1 374 . 1 1 36 36 GLU C C 13 175.4 0.1 . 1 . . . . . . . . 5568 1 375 . 1 1 37 37 PHE N N 15 125.6 0.1 . 1 . . . . . . . . 5568 1 376 . 1 1 37 37 PHE H H 1 8.96 0.02 . 1 . . . . . . . . 5568 1 377 . 1 1 37 37 PHE CA C 13 59.1 0.1 . 1 . . . . . . . . 5568 1 378 . 1 1 37 37 PHE HA H 1 4.54 0.02 . 1 . . . . . . . . 5568 1 379 . 1 1 37 37 PHE CB C 13 39.8 0.1 . 1 . . . . . . . . 5568 1 380 . 1 1 37 37 PHE HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5568 1 381 . 1 1 37 37 PHE HB3 H 1 3.03 0.02 . 2 . . . . . . . . 5568 1 382 . 1 1 37 37 PHE HD1 H 1 7.11 0.02 . 1 . . . . . . . . 5568 1 383 . 1 1 37 37 PHE HD2 H 1 7.11 0.02 . 1 . . . . . . . . 5568 1 384 . 1 1 37 37 PHE C C 13 175.2 0.1 . 1 . . . . . . . . 5568 1 385 . 1 1 38 38 VAL N N 15 125.6 0.1 . 1 . . . . . . . . 5568 1 386 . 1 1 38 38 VAL H H 1 8.42 0.02 . 1 . . . . . . . . 5568 1 387 . 1 1 38 38 VAL CA C 13 63.5 0.1 . 1 . . . . . . . . 5568 1 388 . 1 1 38 38 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 5568 1 389 . 1 1 38 38 VAL CB C 13 33.2 0.1 . 1 . . . . . . . . 5568 1 390 . 1 1 38 38 VAL HB H 1 1.80 0.02 . 1 . . . . . . . . 5568 1 391 . 1 1 38 38 VAL CG1 C 13 21.6 0.1 . 1 . . . . . . . . 5568 1 392 . 1 1 38 38 VAL HG11 H 1 0.88 0.02 . 1 . . . . . . . . 5568 1 393 . 1 1 38 38 VAL HG12 H 1 0.88 0.02 . 1 . . . . . . . . 5568 1 394 . 1 1 38 38 VAL HG13 H 1 0.88 0.02 . 1 . . . . . . . . 5568 1 395 . 1 1 38 38 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 5568 1 396 . 1 1 38 38 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 5568 1 397 . 1 1 38 38 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 5568 1 398 . 1 1 38 38 VAL C C 13 174.7 0.1 . 1 . . . . . . . . 5568 1 399 . 1 1 39 39 ASP N N 15 115.5 0.1 . 1 . . . . . . . . 5568 1 400 . 1 1 39 39 ASP H H 1 7.18 0.02 . 1 . . . . . . . . 5568 1 401 . 1 1 39 39 ASP CA C 13 53.6 0.1 . 1 . . . . . . . . 5568 1 402 . 1 1 39 39 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 5568 1 403 . 1 1 39 39 ASP CB C 13 44.7 0.1 . 1 . . . . . . . . 5568 1 404 . 1 1 39 39 ASP HB2 H 1 2.37 0.02 . 2 . . . . . . . . 5568 1 405 . 1 1 39 39 ASP HB3 H 1 2.12 0.02 . 2 . . . . . . . . 5568 1 406 . 1 1 39 39 ASP C C 13 173.3 0.1 . 1 . . . . . . . . 5568 1 407 . 1 1 40 40 GLU N N 15 121.5 0.1 . 1 . . . . . . . . 5568 1 408 . 1 1 40 40 GLU H H 1 9.19 0.02 . 1 . . . . . . . . 5568 1 409 . 1 1 40 40 GLU CA C 13 55.4 0.1 . 1 . . . . . . . . 5568 1 410 . 1 1 40 40 GLU HA H 1 5.24 0.02 . 1 . . . . . . . . 5568 1 411 . 1 1 40 40 GLU CB C 13 33.0 0.1 . 1 . . . . . . . . 5568 1 412 . 1 1 40 40 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 5568 1 413 . 1 1 40 40 GLU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 5568 1 414 . 1 1 40 40 GLU CG C 13 37.0 0.1 . 1 . . . . . . . . 5568 1 415 . 1 1 40 40 GLU HG2 H 1 2.10 0.02 . 2 . . . . . . . . 5568 1 416 . 1 1 40 40 GLU HG3 H 1 1.97 0.02 . 2 . . . . . . . . 5568 1 417 . 1 1 40 40 GLU C C 13 174.3 0.1 . 1 . . . . . . . . 5568 1 418 . 1 1 41 41 LEU N N 15 126.6 0.1 . 1 . . . . . . . . 5568 1 419 . 1 1 41 41 LEU H H 1 9.36 0.02 . 1 . . . . . . . . 5568 1 420 . 1 1 41 41 LEU CA C 13 53.2 0.1 . 1 . . . . . . . . 5568 1 421 . 1 1 41 41 LEU HA H 1 4.87 0.02 . 1 . . . . . . . . 5568 1 422 . 1 1 41 41 LEU CB C 13 43.9 0.1 . 1 . . . . . . . . 5568 1 423 . 1 1 41 41 LEU HB2 H 1 1.66 0.02 . 2 . . . . . . . . 5568 1 424 . 1 1 41 41 LEU HB3 H 1 1.47 0.02 . 2 . . . . . . . . 5568 1 425 . 1 1 41 41 LEU CG C 13 26.8 0.1 . 1 . . . . . . . . 5568 1 426 . 1 1 41 41 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 5568 1 427 . 1 1 41 41 LEU CD1 C 13 23.7 0.1 . 1 . . . . . . . . 5568 1 428 . 1 1 41 41 LEU HD11 H 1 0.89 0.02 . 1 . . . . . . . . 5568 1 429 . 1 1 41 41 LEU HD12 H 1 0.89 0.02 . 1 . . . . . . . . 5568 1 430 . 1 1 41 41 LEU HD13 H 1 0.89 0.02 . 1 . . . . . . . . 5568 1 431 . 1 1 41 41 LEU HD21 H 1 0.89 0.02 . 1 . . . . . . . . 5568 1 432 . 1 1 41 41 LEU HD22 H 1 0.89 0.02 . 1 . . . . . . . . 5568 1 433 . 1 1 41 41 LEU HD23 H 1 0.89 0.02 . 1 . . . . . . . . 5568 1 434 . 1 1 41 41 LEU C C 13 175.5 0.1 . 1 . . . . . . . . 5568 1 435 . 1 1 42 42 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 5568 1 436 . 1 1 42 42 ILE H H 1 8.57 0.02 . 1 . . . . . . . . 5568 1 437 . 1 1 42 42 ILE CA C 13 61.2 0.1 . 1 . . . . . . . . 5568 1 438 . 1 1 42 42 ILE HA H 1 4.08 0.02 . 1 . . . . . . . . 5568 1 439 . 1 1 42 42 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5568 1 440 . 1 1 42 42 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5568 1 441 . 1 1 42 42 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 442 . 1 1 42 42 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 443 . 1 1 42 42 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 444 . 1 1 42 42 ILE CG2 C 13 18.1 0.1 . 1 . . . . . . . . 5568 1 445 . 1 1 42 42 ILE CG1 C 13 28.1 0.1 . 1 . . . . . . . . 5568 1 446 . 1 1 42 42 ILE HG12 H 1 1.49 0.02 . 2 . . . . . . . . 5568 1 447 . 1 1 42 42 ILE HG13 H 1 1.20 0.02 . 2 . . . . . . . . 5568 1 448 . 1 1 42 42 ILE HD11 H 1 0.77 0.02 . 1 . . . . . . . . 5568 1 449 . 1 1 42 42 ILE HD12 H 1 0.77 0.02 . 1 . . . . . . . . 5568 1 450 . 1 1 42 42 ILE HD13 H 1 0.77 0.02 . 1 . . . . . . . . 5568 1 451 . 1 1 42 42 ILE CD1 C 13 12.0 0.1 . 1 . . . . . . . . 5568 1 452 . 1 1 42 42 ILE C C 13 175.4 0.1 . 1 . . . . . . . . 5568 1 453 . 1 1 43 43 LEU N N 15 127.5 0.1 . 1 . . . . . . . . 5568 1 454 . 1 1 43 43 LEU H H 1 8.02 0.02 . 1 . . . . . . . . 5568 1 455 . 1 1 43 43 LEU CA C 13 52.3 0.1 . 1 . . . . . . . . 5568 1 456 . 1 1 43 43 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 5568 1 457 . 1 1 43 43 LEU CB C 13 40.3 0.1 . 1 . . . . . . . . 5568 1 458 . 1 1 43 43 LEU HB2 H 1 0.98 0.02 . 2 . . . . . . . . 5568 1 459 . 1 1 43 43 LEU HB3 H 1 0.34 0.02 . 2 . . . . . . . . 5568 1 460 . 1 1 43 43 LEU CG C 13 27.9 0.1 . 1 . . . . . . . . 5568 1 461 . 1 1 43 43 LEU HG H 1 1.16 0.02 . 1 . . . . . . . . 5568 1 462 . 1 1 43 43 LEU HD11 H 1 0.25 0.02 . 2 . . . . . . . . 5568 1 463 . 1 1 43 43 LEU HD12 H 1 0.25 0.02 . 2 . . . . . . . . 5568 1 464 . 1 1 43 43 LEU HD13 H 1 0.25 0.02 . 2 . . . . . . . . 5568 1 465 . 1 1 43 43 LEU HD21 H 1 0.26 0.02 . 2 . . . . . . . . 5568 1 466 . 1 1 43 43 LEU HD22 H 1 0.26 0.02 . 2 . . . . . . . . 5568 1 467 . 1 1 43 43 LEU HD23 H 1 0.26 0.02 . 2 . . . . . . . . 5568 1 468 . 1 1 43 43 LEU CD1 C 13 23.4 0.1 . 1 . . . . . . . . 5568 1 469 . 1 1 43 43 LEU CD2 C 13 25.8 0.1 . 1 . . . . . . . . 5568 1 470 . 1 1 43 43 LEU C C 13 176.0 0.1 . 1 . . . . . . . . 5568 1 471 . 1 1 44 44 PRO CD C 13 49.7 0.1 . 1 . . . . . . . . 5568 1 472 . 1 1 44 44 PRO CG C 13 27.0 0.1 . 1 . . . . . . . . 5568 1 473 . 1 1 44 44 PRO HG2 H 1 2.12 0.02 . 2 . . . . . . . . 5568 1 474 . 1 1 44 44 PRO HG3 H 1 1.42 0.02 . 2 . . . . . . . . 5568 1 475 . 1 1 44 44 PRO HD2 H 1 3.38 0.02 . 2 . . . . . . . . 5568 1 476 . 1 1 44 44 PRO HD3 H 1 2.51 0.02 . 2 . . . . . . . . 5568 1 477 . 1 1 45 45 PHE N N 15 115.1 0.1 . 1 . . . . . . . . 5568 1 478 . 1 1 45 45 PHE H H 1 6.37 0.02 . 1 . . . . . . . . 5568 1 479 . 1 1 45 45 PHE CA C 13 54.8 0.1 . 1 . . . . . . . . 5568 1 480 . 1 1 45 45 PHE HA H 1 5.04 0.02 . 1 . . . . . . . . 5568 1 481 . 1 1 45 45 PHE CB C 13 41.3 0.1 . 1 . . . . . . . . 5568 1 482 . 1 1 45 45 PHE HB2 H 1 3.21 0.02 . 2 . . . . . . . . 5568 1 483 . 1 1 45 45 PHE HB3 H 1 2.95 0.02 . 2 . . . . . . . . 5568 1 484 . 1 1 45 45 PHE HD1 H 1 6.79 0.02 . 1 . . . . . . . . 5568 1 485 . 1 1 45 45 PHE HD2 H 1 6.79 0.02 . 1 . . . . . . . . 5568 1 486 . 1 1 45 45 PHE C C 13 174.4 0.1 . 1 . . . . . . . . 5568 1 487 . 1 1 46 46 ASN N N 15 120.4 0.1 . 1 . . . . . . . . 5568 1 488 . 1 1 46 46 ASN H H 1 9.53 0.02 . 1 . . . . . . . . 5568 1 489 . 1 1 46 46 ASN CA C 13 52.1 0.1 . 1 . . . . . . . . 5568 1 490 . 1 1 46 46 ASN HA H 1 5.21 0.02 . 1 . . . . . . . . 5568 1 491 . 1 1 46 46 ASN CB C 13 40.5 0.1 . 1 . . . . . . . . 5568 1 492 . 1 1 46 46 ASN HB2 H 1 2.86 0.02 . 1 . . . . . . . . 5568 1 493 . 1 1 46 46 ASN HB3 H 1 2.86 0.02 . 1 . . . . . . . . 5568 1 494 . 1 1 46 46 ASN ND2 N 15 112.8 0.1 . 1 . . . . . . . . 5568 1 495 . 1 1 46 46 ASN HD21 H 1 7.67 0.02 . 2 . . . . . . . . 5568 1 496 . 1 1 46 46 ASN HD22 H 1 6.80 0.02 . 2 . . . . . . . . 5568 1 497 . 1 1 46 46 ASN C C 13 177.1 0.1 . 1 . . . . . . . . 5568 1 498 . 1 1 47 47 VAL N N 15 113.4 0.1 . 1 . . . . . . . . 5568 1 499 . 1 1 47 47 VAL H H 1 7.94 0.02 . 1 . . . . . . . . 5568 1 500 . 1 1 47 47 VAL CA C 13 64.6 0.1 . 1 . . . . . . . . 5568 1 501 . 1 1 47 47 VAL HA H 1 3.96 0.02 . 1 . . . . . . . . 5568 1 502 . 1 1 47 47 VAL CB C 13 32.0 0.1 . 1 . . . . . . . . 5568 1 503 . 1 1 47 47 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 5568 1 504 . 1 1 47 47 VAL HG11 H 1 0.71 0.02 . 2 . . . . . . . . 5568 1 505 . 1 1 47 47 VAL HG12 H 1 0.71 0.02 . 2 . . . . . . . . 5568 1 506 . 1 1 47 47 VAL HG13 H 1 0.71 0.02 . 2 . . . . . . . . 5568 1 507 . 1 1 47 47 VAL HG21 H 1 0.61 0.02 . 2 . . . . . . . . 5568 1 508 . 1 1 47 47 VAL HG22 H 1 0.61 0.02 . 2 . . . . . . . . 5568 1 509 . 1 1 47 47 VAL HG23 H 1 0.61 0.02 . 2 . . . . . . . . 5568 1 510 . 1 1 47 47 VAL CG1 C 13 20.1 0.1 . 1 . . . . . . . . 5568 1 511 . 1 1 47 47 VAL CG2 C 13 21.1 0.1 . 1 . . . . . . . . 5568 1 512 . 1 1 47 47 VAL C C 13 176.0 0.1 . 1 . . . . . . . . 5568 1 513 . 1 1 48 48 ASP N N 15 117.1 0.1 . 1 . . . . . . . . 5568 1 514 . 1 1 48 48 ASP H H 1 8.48 0.02 . 1 . . . . . . . . 5568 1 515 . 1 1 48 48 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 5568 1 516 . 1 1 48 48 ASP HA H 1 4.82 0.02 . 1 . . . . . . . . 5568 1 517 . 1 1 48 48 ASP CB C 13 40.6 0.1 . 1 . . . . . . . . 5568 1 518 . 1 1 48 48 ASP HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5568 1 519 . 1 1 48 48 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5568 1 520 . 1 1 48 48 ASP C C 13 177.0 0.1 . 1 . . . . . . . . 5568 1 521 . 1 1 49 49 GLU N N 15 124.4 0.1 . 1 . . . . . . . . 5568 1 522 . 1 1 49 49 GLU H H 1 7.96 0.02 . 1 . . . . . . . . 5568 1 523 . 1 1 49 49 GLU CA C 13 55.5 0.1 . 1 . . . . . . . . 5568 1 524 . 1 1 49 49 GLU HA H 1 4.69 0.02 . 1 . . . . . . . . 5568 1 525 . 1 1 49 49 GLU CB C 13 28.5 0.1 . 1 . . . . . . . . 5568 1 526 . 1 1 49 49 GLU HB2 H 1 2.49 0.02 . 2 . . . . . . . . 5568 1 527 . 1 1 49 49 GLU HB3 H 1 2.36 0.02 . 2 . . . . . . . . 5568 1 528 . 1 1 49 49 GLU CG C 13 37.2 0.1 . 1 . . . . . . . . 5568 1 529 . 1 1 49 49 GLU C C 13 176.1 0.1 . 1 . . . . . . . . 5568 1 530 . 1 1 50 50 LEU N N 15 121.5 0.1 . 1 . . . . . . . . 5568 1 531 . 1 1 50 50 LEU H H 1 7.55 0.02 . 1 . . . . . . . . 5568 1 532 . 1 1 50 50 LEU CA C 13 57.9 0.1 . 1 . . . . . . . . 5568 1 533 . 1 1 50 50 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 5568 1 534 . 1 1 50 50 LEU CB C 13 41.9 0.1 . 1 . . . . . . . . 5568 1 535 . 1 1 50 50 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 5568 1 536 . 1 1 50 50 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 5568 1 537 . 1 1 50 50 LEU CG C 13 27.6 0.1 . 1 . . . . . . . . 5568 1 538 . 1 1 50 50 LEU HG H 1 1.71 0.02 . 1 . . . . . . . . 5568 1 539 . 1 1 50 50 LEU HD11 H 1 0.96 0.02 . 2 . . . . . . . . 5568 1 540 . 1 1 50 50 LEU HD12 H 1 0.96 0.02 . 2 . . . . . . . . 5568 1 541 . 1 1 50 50 LEU HD13 H 1 0.96 0.02 . 2 . . . . . . . . 5568 1 542 . 1 1 50 50 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 5568 1 543 . 1 1 50 50 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 5568 1 544 . 1 1 50 50 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 5568 1 545 . 1 1 50 50 LEU CD1 C 13 24.5 0.1 . 1 . . . . . . . . 5568 1 546 . 1 1 50 50 LEU CD2 C 13 23.9 0.1 . 1 . . . . . . . . 5568 1 547 . 1 1 50 50 LEU C C 13 178.9 0.1 . 1 . . . . . . . . 5568 1 548 . 1 1 51 51 ASP N N 15 119.0 0.1 . 1 . . . . . . . . 5568 1 549 . 1 1 51 51 ASP H H 1 8.58 0.02 . 1 . . . . . . . . 5568 1 550 . 1 1 51 51 ASP CA C 13 57.6 0.1 . 1 . . . . . . . . 5568 1 551 . 1 1 51 51 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 5568 1 552 . 1 1 51 51 ASP CB C 13 40.0 0.1 . 1 . . . . . . . . 5568 1 553 . 1 1 51 51 ASP HB2 H 1 2.64 0.02 . 1 . . . . . . . . 5568 1 554 . 1 1 51 51 ASP HB3 H 1 2.64 0.02 . 1 . . . . . . . . 5568 1 555 . 1 1 51 51 ASP C C 13 178.9 0.1 . 1 . . . . . . . . 5568 1 556 . 1 1 52 52 GLU N N 15 121.7 0.1 . 1 . . . . . . . . 5568 1 557 . 1 1 52 52 GLU H H 1 8.60 0.02 . 1 . . . . . . . . 5568 1 558 . 1 1 52 52 GLU CA C 13 59.9 0.1 . 1 . . . . . . . . 5568 1 559 . 1 1 52 52 GLU HA H 1 3.92 0.02 . 1 . . . . . . . . 5568 1 560 . 1 1 52 52 GLU CB C 13 28.8 0.1 . 1 . . . . . . . . 5568 1 561 . 1 1 52 52 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5568 1 562 . 1 1 52 52 GLU HB3 H 1 1.77 0.02 . 2 . . . . . . . . 5568 1 563 . 1 1 52 52 GLU CG C 13 37.0 0.1 . 1 . . . . . . . . 5568 1 564 . 1 1 52 52 GLU HG2 H 1 2.52 0.02 . 2 . . . . . . . . 5568 1 565 . 1 1 52 52 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5568 1 566 . 1 1 52 52 GLU C C 13 178.8 0.1 . 1 . . . . . . . . 5568 1 567 . 1 1 53 53 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 5568 1 568 . 1 1 53 53 LEU H H 1 7.72 0.02 . 1 . . . . . . . . 5568 1 569 . 1 1 53 53 LEU CA C 13 58.1 0.1 . 1 . . . . . . . . 5568 1 570 . 1 1 53 53 LEU HA H 1 2.75 0.02 . 1 . . . . . . . . 5568 1 571 . 1 1 53 53 LEU CB C 13 41.3 0.1 . 1 . . . . . . . . 5568 1 572 . 1 1 53 53 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 5568 1 573 . 1 1 53 53 LEU HB3 H 1 0.95 0.02 . 2 . . . . . . . . 5568 1 574 . 1 1 53 53 LEU CG C 13 26.7 0.1 . 1 . . . . . . . . 5568 1 575 . 1 1 53 53 LEU HG H 1 1.17 0.02 . 1 . . . . . . . . 5568 1 576 . 1 1 53 53 LEU HD11 H 1 0.28 0.02 . 2 . . . . . . . . 5568 1 577 . 1 1 53 53 LEU HD12 H 1 0.28 0.02 . 2 . . . . . . . . 5568 1 578 . 1 1 53 53 LEU HD13 H 1 0.28 0.02 . 2 . . . . . . . . 5568 1 579 . 1 1 53 53 LEU HD21 H 1 0.43 0.02 . 2 . . . . . . . . 5568 1 580 . 1 1 53 53 LEU HD22 H 1 0.43 0.02 . 2 . . . . . . . . 5568 1 581 . 1 1 53 53 LEU HD23 H 1 0.43 0.02 . 2 . . . . . . . . 5568 1 582 . 1 1 53 53 LEU CD1 C 13 25.0 0.1 . 1 . . . . . . . . 5568 1 583 . 1 1 53 53 LEU CD2 C 13 24.8 0.1 . 1 . . . . . . . . 5568 1 584 . 1 1 53 53 LEU C C 13 178.2 0.1 . 1 . . . . . . . . 5568 1 585 . 1 1 54 54 ASN N N 15 117.7 0.1 . 1 . . . . . . . . 5568 1 586 . 1 1 54 54 ASN H H 1 8.31 0.02 . 1 . . . . . . . . 5568 1 587 . 1 1 54 54 ASN CA C 13 56.8 0.1 . 1 . . . . . . . . 5568 1 588 . 1 1 54 54 ASN HA H 1 4.51 0.02 . 1 . . . . . . . . 5568 1 589 . 1 1 54 54 ASN CB C 13 38.2 0.1 . 1 . . . . . . . . 5568 1 590 . 1 1 54 54 ASN HB2 H 1 2.90 0.02 . 1 . . . . . . . . 5568 1 591 . 1 1 54 54 ASN HB3 H 1 2.90 0.02 . 1 . . . . . . . . 5568 1 592 . 1 1 54 54 ASN ND2 N 15 112.0 0.1 . 1 . . . . . . . . 5568 1 593 . 1 1 54 54 ASN HD21 H 1 7.63 0.02 . 2 . . . . . . . . 5568 1 594 . 1 1 54 54 ASN HD22 H 1 6.77 0.02 . 2 . . . . . . . . 5568 1 595 . 1 1 54 54 ASN C C 13 178.0 0.1 . 1 . . . . . . . . 5568 1 596 . 1 1 55 55 THR N N 15 117.1 0.1 . 1 . . . . . . . . 5568 1 597 . 1 1 55 55 THR H H 1 8.06 0.02 . 1 . . . . . . . . 5568 1 598 . 1 1 55 55 THR CA C 13 66.7 0.1 . 1 . . . . . . . . 5568 1 599 . 1 1 55 55 THR HA H 1 4.05 0.02 . 1 . . . . . . . . 5568 1 600 . 1 1 55 55 THR CB C 13 69.2 0.1 . 1 . . . . . . . . 5568 1 601 . 1 1 55 55 THR HB H 1 4.24 0.02 . 1 . . . . . . . . 5568 1 602 . 1 1 55 55 THR HG21 H 1 1.33 0.02 . 1 . . . . . . . . 5568 1 603 . 1 1 55 55 THR HG22 H 1 1.33 0.02 . 1 . . . . . . . . 5568 1 604 . 1 1 55 55 THR HG23 H 1 1.33 0.02 . 1 . . . . . . . . 5568 1 605 . 1 1 55 55 THR CG2 C 13 21.9 0.1 . 1 . . . . . . . . 5568 1 606 . 1 1 55 55 THR C C 13 176.3 0.1 . 1 . . . . . . . . 5568 1 607 . 1 1 56 56 TRP N N 15 125.5 0.1 . 1 . . . . . . . . 5568 1 608 . 1 1 56 56 TRP H H 1 8.13 0.02 . 1 . . . . . . . . 5568 1 609 . 1 1 56 56 TRP CA C 13 62.5 0.1 . 1 . . . . . . . . 5568 1 610 . 1 1 56 56 TRP HA H 1 4.15 0.02 . 1 . . . . . . . . 5568 1 611 . 1 1 56 56 TRP CB C 13 30.9 0.1 . 1 . . . . . . . . 5568 1 612 . 1 1 56 56 TRP HB2 H 1 3.39 0.02 . 2 . . . . . . . . 5568 1 613 . 1 1 56 56 TRP HB3 H 1 3.27 0.02 . 2 . . . . . . . . 5568 1 614 . 1 1 56 56 TRP NE1 N 15 128.8 0.1 . 1 . . . . . . . . 5568 1 615 . 1 1 56 56 TRP HE1 H 1 10.37 0.02 . 1 . . . . . . . . 5568 1 616 . 1 1 56 56 TRP C C 13 179.2 0.1 . 1 . . . . . . . . 5568 1 617 . 1 1 57 57 PHE N N 15 117.7 0.1 . 1 . . . . . . . . 5568 1 618 . 1 1 57 57 PHE H H 1 9.29 0.02 . 1 . . . . . . . . 5568 1 619 . 1 1 57 57 PHE CA C 13 63.0 0.1 . 1 . . . . . . . . 5568 1 620 . 1 1 57 57 PHE HA H 1 4.14 0.02 . 1 . . . . . . . . 5568 1 621 . 1 1 57 57 PHE CB C 13 38.6 0.1 . 1 . . . . . . . . 5568 1 622 . 1 1 57 57 PHE HB2 H 1 3.23 0.02 . 2 . . . . . . . . 5568 1 623 . 1 1 57 57 PHE HB3 H 1 3.09 0.02 . 2 . . . . . . . . 5568 1 624 . 1 1 57 57 PHE HD1 H 1 7.17 0.02 . 1 . . . . . . . . 5568 1 625 . 1 1 57 57 PHE HD2 H 1 7.17 0.02 . 1 . . . . . . . . 5568 1 626 . 1 1 57 57 PHE C C 13 178.0 0.1 . 1 . . . . . . . . 5568 1 627 . 1 1 58 58 ASP N N 15 120.6 0.1 . 1 . . . . . . . . 5568 1 628 . 1 1 58 58 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 5568 1 629 . 1 1 58 58 ASP CA C 13 58.1 0.1 . 1 . . . . . . . . 5568 1 630 . 1 1 58 58 ASP HA H 1 4.62 0.02 . 1 . . . . . . . . 5568 1 631 . 1 1 58 58 ASP CB C 13 40.3 0.1 . 1 . . . . . . . . 5568 1 632 . 1 1 58 58 ASP HB2 H 1 2.96 0.02 . 2 . . . . . . . . 5568 1 633 . 1 1 58 58 ASP HB3 H 1 2.71 0.02 . 2 . . . . . . . . 5568 1 634 . 1 1 58 58 ASP C C 13 179.5 0.1 . 1 . . . . . . . . 5568 1 635 . 1 1 59 59 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5568 1 636 . 1 1 59 59 LYS H H 1 7.22 0.02 . 1 . . . . . . . . 5568 1 637 . 1 1 59 59 LYS CA C 13 59.5 0.1 . 1 . . . . . . . . 5568 1 638 . 1 1 59 59 LYS HA H 1 4.14 0.02 . 1 . . . . . . . . 5568 1 639 . 1 1 59 59 LYS CB C 13 32.9 0.1 . 1 . . . . . . . . 5568 1 640 . 1 1 59 59 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 5568 1 641 . 1 1 59 59 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 5568 1 642 . 1 1 59 59 LYS CG C 13 25.8 0.1 . 1 . . . . . . . . 5568 1 643 . 1 1 59 59 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 5568 1 644 . 1 1 59 59 LYS HG3 H 1 1.46 0.02 . 2 . . . . . . . . 5568 1 645 . 1 1 59 59 LYS CD C 13 27.0 0.1 . 1 . . . . . . . . 5568 1 646 . 1 1 59 59 LYS HD2 H 1 1.65 0.02 . 1 . . . . . . . . 5568 1 647 . 1 1 59 59 LYS HD3 H 1 1.65 0.02 . 1 . . . . . . . . 5568 1 648 . 1 1 59 59 LYS CE C 13 42.9 0.1 . 1 . . . . . . . . 5568 1 649 . 1 1 59 59 LYS HE2 H 1 3.16 0.02 . 1 . . . . . . . . 5568 1 650 . 1 1 59 59 LYS HE3 H 1 3.16 0.02 . 1 . . . . . . . . 5568 1 651 . 1 1 59 59 LYS C C 13 177.3 0.1 . 1 . . . . . . . . 5568 1 652 . 1 1 60 60 PHE N N 15 122.9 0.1 . 1 . . . . . . . . 5568 1 653 . 1 1 60 60 PHE H H 1 8.23 0.02 . 1 . . . . . . . . 5568 1 654 . 1 1 60 60 PHE CA C 13 61.1 0.1 . 1 . . . . . . . . 5568 1 655 . 1 1 60 60 PHE HA H 1 2.77 0.02 . 1 . . . . . . . . 5568 1 656 . 1 1 60 60 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 5568 1 657 . 1 1 60 60 PHE HB2 H 1 2.47 0.02 . 2 . . . . . . . . 5568 1 658 . 1 1 60 60 PHE HB3 H 1 1.72 0.02 . 2 . . . . . . . . 5568 1 659 . 1 1 60 60 PHE C C 13 178.3 0.1 . 1 . . . . . . . . 5568 1 660 . 1 1 61 61 ASP N N 15 121.7 0.1 . 1 . . . . . . . . 5568 1 661 . 1 1 61 61 ASP H H 1 9.57 0.02 . 1 . . . . . . . . 5568 1 662 . 1 1 61 61 ASP CA C 13 57.6 0.1 . 1 . . . . . . . . 5568 1 663 . 1 1 61 61 ASP HA H 1 4.22 0.02 . 1 . . . . . . . . 5568 1 664 . 1 1 61 61 ASP CB C 13 40.7 0.1 . 1 . . . . . . . . 5568 1 665 . 1 1 61 61 ASP HB2 H 1 2.95 0.02 . 2 . . . . . . . . 5568 1 666 . 1 1 61 61 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5568 1 667 . 1 1 61 61 ASP C C 13 177.5 0.1 . 1 . . . . . . . . 5568 1 668 . 1 1 62 62 ALA N N 15 118.9 0.1 . 1 . . . . . . . . 5568 1 669 . 1 1 62 62 ALA H H 1 7.26 0.02 . 1 . . . . . . . . 5568 1 670 . 1 1 62 62 ALA CA C 13 55.3 0.1 . 1 . . . . . . . . 5568 1 671 . 1 1 62 62 ALA HA H 1 4.00 0.02 . 1 . . . . . . . . 5568 1 672 . 1 1 62 62 ALA HB1 H 1 1.50 0.02 . 1 . . . . . . . . 5568 1 673 . 1 1 62 62 ALA HB2 H 1 1.50 0.02 . 1 . . . . . . . . 5568 1 674 . 1 1 62 62 ALA HB3 H 1 1.50 0.02 . 1 . . . . . . . . 5568 1 675 . 1 1 62 62 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5568 1 676 . 1 1 62 62 ALA C C 13 179.1 0.1 . 1 . . . . . . . . 5568 1 677 . 1 1 63 63 GLU N N 15 113.0 0.1 . 1 . . . . . . . . 5568 1 678 . 1 1 63 63 GLU H H 1 8.12 0.02 . 1 . . . . . . . . 5568 1 679 . 1 1 63 63 GLU CA C 13 58.4 0.1 . 1 . . . . . . . . 5568 1 680 . 1 1 63 63 GLU HA H 1 4.09 0.02 . 1 . . . . . . . . 5568 1 681 . 1 1 63 63 GLU CB C 13 30.8 0.1 . 1 . . . . . . . . 5568 1 682 . 1 1 63 63 GLU HB2 H 1 1.88 0.02 . 2 . . . . . . . . 5568 1 683 . 1 1 63 63 GLU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5568 1 684 . 1 1 63 63 GLU CG C 13 36.8 0.1 . 1 . . . . . . . . 5568 1 685 . 1 1 63 63 GLU HG2 H 1 2.43 0.02 . 2 . . . . . . . . 5568 1 686 . 1 1 63 63 GLU HG3 H 1 2.19 0.02 . 2 . . . . . . . . 5568 1 687 . 1 1 63 63 GLU C C 13 176.9 0.1 . 1 . . . . . . . . 5568 1 688 . 1 1 64 64 ILE N N 15 115.3 0.1 . 1 . . . . . . . . 5568 1 689 . 1 1 64 64 ILE H H 1 7.88 0.02 . 1 . . . . . . . . 5568 1 690 . 1 1 64 64 ILE CA C 13 60.7 0.1 . 1 . . . . . . . . 5568 1 691 . 1 1 64 64 ILE HA H 1 3.88 0.02 . 1 . . . . . . . . 5568 1 692 . 1 1 64 64 ILE CB C 13 37.1 0.1 . 1 . . . . . . . . 5568 1 693 . 1 1 64 64 ILE HB H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 694 . 1 1 64 64 ILE HG21 H 1 0.25 0.02 . 1 . . . . . . . . 5568 1 695 . 1 1 64 64 ILE HG22 H 1 0.25 0.02 . 1 . . . . . . . . 5568 1 696 . 1 1 64 64 ILE HG23 H 1 0.25 0.02 . 1 . . . . . . . . 5568 1 697 . 1 1 64 64 ILE CG2 C 13 17.0 0.1 . 1 . . . . . . . . 5568 1 698 . 1 1 64 64 ILE CG1 C 13 26.9 0.1 . 1 . . . . . . . . 5568 1 699 . 1 1 64 64 ILE HG12 H 1 0.61 0.02 . 2 . . . . . . . . 5568 1 700 . 1 1 64 64 ILE HG13 H 1 0.57 0.02 . 2 . . . . . . . . 5568 1 701 . 1 1 64 64 ILE HD11 H 1 0.36 0.02 . 1 . . . . . . . . 5568 1 702 . 1 1 64 64 ILE HD12 H 1 0.36 0.02 . 1 . . . . . . . . 5568 1 703 . 1 1 64 64 ILE HD13 H 1 0.36 0.02 . 1 . . . . . . . . 5568 1 704 . 1 1 64 64 ILE CD1 C 13 10.3 0.1 . 1 . . . . . . . . 5568 1 705 . 1 1 64 64 ILE C C 13 176.4 0.1 . 1 . . . . . . . . 5568 1 706 . 1 1 65 65 CYS N N 15 118.2 0.1 . 1 . . . . . . . . 5568 1 707 . 1 1 65 65 CYS H H 1 7.25 0.02 . 1 . . . . . . . . 5568 1 708 . 1 1 65 65 CYS CA C 13 63.3 0.1 . 1 . . . . . . . . 5568 1 709 . 1 1 65 65 CYS HA H 1 4.14 0.02 . 1 . . . . . . . . 5568 1 710 . 1 1 65 65 CYS CB C 13 27.4 0.1 . 1 . . . . . . . . 5568 1 711 . 1 1 65 65 CYS HB2 H 1 3.60 0.02 . 2 . . . . . . . . 5568 1 712 . 1 1 65 65 CYS HB3 H 1 3.03 0.02 . 2 . . . . . . . . 5568 1 713 . 1 1 65 65 CYS C C 13 177.2 0.1 . 1 . . . . . . . . 5568 1 714 . 1 1 66 66 ILE N N 15 122.9 0.1 . 1 . . . . . . . . 5568 1 715 . 1 1 66 66 ILE H H 1 9.12 0.02 . 1 . . . . . . . . 5568 1 716 . 1 1 66 66 ILE CA C 13 66.6 0.1 . 1 . . . . . . . . 5568 1 717 . 1 1 66 66 ILE HA H 1 3.89 0.02 . 1 . . . . . . . . 5568 1 718 . 1 1 66 66 ILE CB C 13 35.5 0.1 . 1 . . . . . . . . 5568 1 719 . 1 1 66 66 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 5568 1 720 . 1 1 66 66 ILE HG21 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 721 . 1 1 66 66 ILE HG22 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 722 . 1 1 66 66 ILE HG23 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 723 . 1 1 66 66 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 5568 1 724 . 1 1 66 66 ILE CG1 C 13 29.8 0.1 . 1 . . . . . . . . 5568 1 725 . 1 1 66 66 ILE HG12 H 1 1.55 0.02 . 2 . . . . . . . . 5568 1 726 . 1 1 66 66 ILE HG13 H 1 1.15 0.02 . 2 . . . . . . . . 5568 1 727 . 1 1 66 66 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 5568 1 728 . 1 1 66 66 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 5568 1 729 . 1 1 66 66 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 5568 1 730 . 1 1 66 66 ILE CD1 C 13 12.4 0.1 . 1 . . . . . . . . 5568 1 731 . 1 1 66 66 ILE C C 13 177.4 0.1 . 1 . . . . . . . . 5568 1 732 . 1 1 67 67 PRO CD C 13 50.3 0.1 . 1 . . . . . . . . 5568 1 733 . 1 1 67 67 PRO CA C 13 65.1 0.1 . 1 . . . . . . . . 5568 1 734 . 1 1 67 67 PRO HA H 1 4.39 0.02 . 1 . . . . . . . . 5568 1 735 . 1 1 67 67 PRO CB C 13 31.7 0.1 . 1 . . . . . . . . 5568 1 736 . 1 1 67 67 PRO HB2 H 1 2.34 0.02 . 2 . . . . . . . . 5568 1 737 . 1 1 67 67 PRO HB3 H 1 1.53 0.02 . 2 . . . . . . . . 5568 1 738 . 1 1 67 67 PRO CG C 13 28.1 0.1 . 1 . . . . . . . . 5568 1 739 . 1 1 67 67 PRO HG2 H 1 1.79 0.02 . 1 . . . . . . . . 5568 1 740 . 1 1 67 67 PRO HG3 H 1 1.79 0.02 . 1 . . . . . . . . 5568 1 741 . 1 1 67 67 PRO HD2 H 1 3.54 0.02 . 2 . . . . . . . . 5568 1 742 . 1 1 67 67 PRO HD3 H 1 2.93 0.02 . 2 . . . . . . . . 5568 1 743 . 1 1 67 67 PRO C C 13 176.2 0.1 . 1 . . . . . . . . 5568 1 744 . 1 1 68 68 ASN N N 15 113.6 0.1 . 1 . . . . . . . . 5568 1 745 . 1 1 68 68 ASN H H 1 7.05 0.02 . 1 . . . . . . . . 5568 1 746 . 1 1 68 68 ASN CA C 13 52.9 0.1 . 1 . . . . . . . . 5568 1 747 . 1 1 68 68 ASN HA H 1 5.11 0.02 . 1 . . . . . . . . 5568 1 748 . 1 1 68 68 ASN CB C 13 40.6 0.1 . 1 . . . . . . . . 5568 1 749 . 1 1 68 68 ASN HB2 H 1 2.90 0.02 . 2 . . . . . . . . 5568 1 750 . 1 1 68 68 ASN HB3 H 1 2.45 0.02 . 2 . . . . . . . . 5568 1 751 . 1 1 68 68 ASN ND2 N 15 115.5 0.1 . 1 . . . . . . . . 5568 1 752 . 1 1 68 68 ASN HD21 H 1 8.14 0.02 . 2 . . . . . . . . 5568 1 753 . 1 1 68 68 ASN HD22 H 1 7.09 0.02 . 2 . . . . . . . . 5568 1 754 . 1 1 68 68 ASN C C 13 173.6 0.1 . 1 . . . . . . . . 5568 1 755 . 1 1 69 69 GLU N N 15 120.4 0.1 . 1 . . . . . . . . 5568 1 756 . 1 1 69 69 GLU H H 1 7.21 0.02 . 1 . . . . . . . . 5568 1 757 . 1 1 69 69 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5568 1 758 . 1 1 69 69 GLU HA H 1 4.04 0.02 . 1 . . . . . . . . 5568 1 759 . 1 1 69 69 GLU CB C 13 29.9 0.1 . 1 . . . . . . . . 5568 1 760 . 1 1 69 69 GLU HB2 H 1 2.31 0.02 . 2 . . . . . . . . 5568 1 761 . 1 1 69 69 GLU HB3 H 1 1.99 0.02 . 2 . . . . . . . . 5568 1 762 . 1 1 69 69 GLU CG C 13 35.6 0.1 . 1 . . . . . . . . 5568 1 763 . 1 1 69 69 GLU HG2 H 1 2.25 0.02 . 1 . . . . . . . . 5568 1 764 . 1 1 69 69 GLU HG3 H 1 2.25 0.02 . 1 . . . . . . . . 5568 1 765 . 1 1 69 69 GLU C C 13 176.6 0.1 . 1 . . . . . . . . 5568 1 766 . 1 1 70 70 GLY CA C 13 45.0 0.1 . 1 . . . . . . . . 5568 1 767 . 1 1 70 70 GLY C C 13 175.2 0.1 . 1 . . . . . . . . 5568 1 768 . 1 1 71 71 HIS N N 15 116.2 0.1 . 1 . . . . . . . . 5568 1 769 . 1 1 71 71 HIS H H 1 8.26 0.02 . 1 . . . . . . . . 5568 1 770 . 1 1 71 71 HIS CA C 13 55.7 0.1 . 1 . . . . . . . . 5568 1 771 . 1 1 71 71 HIS HA H 1 5.15 0.02 . 1 . . . . . . . . 5568 1 772 . 1 1 71 71 HIS CB C 13 32.1 0.1 . 1 . . . . . . . . 5568 1 773 . 1 1 71 71 HIS HB2 H 1 3.48 0.02 . 2 . . . . . . . . 5568 1 774 . 1 1 71 71 HIS HB3 H 1 2.96 0.02 . 2 . . . . . . . . 5568 1 775 . 1 1 71 71 HIS C C 13 172.2 0.1 . 1 . . . . . . . . 5568 1 776 . 1 1 72 72 ILE N N 15 117.1 0.1 . 1 . . . . . . . . 5568 1 777 . 1 1 72 72 ILE H H 1 7.37 0.02 . 1 . . . . . . . . 5568 1 778 . 1 1 72 72 ILE CA C 13 59.5 0.1 . 1 . . . . . . . . 5568 1 779 . 1 1 72 72 ILE HA H 1 5.31 0.02 . 1 . . . . . . . . 5568 1 780 . 1 1 72 72 ILE CB C 13 43.0 0.1 . 1 . . . . . . . . 5568 1 781 . 1 1 72 72 ILE HB H 1 1.62 0.02 . 1 . . . . . . . . 5568 1 782 . 1 1 72 72 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 5568 1 783 . 1 1 72 72 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 5568 1 784 . 1 1 72 72 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 5568 1 785 . 1 1 72 72 ILE CG2 C 13 17.0 0.1 . 1 . . . . . . . . 5568 1 786 . 1 1 72 72 ILE CG1 C 13 29.2 0.1 . 1 . . . . . . . . 5568 1 787 . 1 1 72 72 ILE HG12 H 1 1.74 0.02 . 2 . . . . . . . . 5568 1 788 . 1 1 72 72 ILE HG13 H 1 1.11 0.02 . 2 . . . . . . . . 5568 1 789 . 1 1 72 72 ILE HD11 H 1 0.79 0.02 . 1 . . . . . . . . 5568 1 790 . 1 1 72 72 ILE HD12 H 1 0.79 0.02 . 1 . . . . . . . . 5568 1 791 . 1 1 72 72 ILE HD13 H 1 0.79 0.02 . 1 . . . . . . . . 5568 1 792 . 1 1 72 72 ILE CD1 C 13 15.6 0.1 . 1 . . . . . . . . 5568 1 793 . 1 1 72 72 ILE C C 13 172.8 0.1 . 1 . . . . . . . . 5568 1 794 . 1 1 73 73 LYS N N 15 124.8 0.1 . 1 . . . . . . . . 5568 1 795 . 1 1 73 73 LYS H H 1 8.62 0.02 . 1 . . . . . . . . 5568 1 796 . 1 1 73 73 LYS CA C 13 55.4 0.1 . 1 . . . . . . . . 5568 1 797 . 1 1 73 73 LYS HA H 1 4.76 0.02 . 1 . . . . . . . . 5568 1 798 . 1 1 73 73 LYS CB C 13 36.0 0.1 . 1 . . . . . . . . 5568 1 799 . 1 1 73 73 LYS HB2 H 1 1.87 0.02 . 2 . . . . . . . . 5568 1 800 . 1 1 73 73 LYS HB3 H 1 1.73 0.02 . 2 . . . . . . . . 5568 1 801 . 1 1 73 73 LYS CG C 13 24.1 0.1 . 1 . . . . . . . . 5568 1 802 . 1 1 73 73 LYS HG2 H 1 1.39 0.02 . 2 . . . . . . . . 5568 1 803 . 1 1 73 73 LYS HG3 H 1 1.27 0.02 . 2 . . . . . . . . 5568 1 804 . 1 1 73 73 LYS CD C 13 29.6 0.1 . 1 . . . . . . . . 5568 1 805 . 1 1 73 73 LYS HD2 H 1 1.60 0.02 . 1 . . . . . . . . 5568 1 806 . 1 1 73 73 LYS HD3 H 1 1.60 0.02 . 1 . . . . . . . . 5568 1 807 . 1 1 73 73 LYS CE C 13 41.9 0.1 . 1 . . . . . . . . 5568 1 808 . 1 1 73 73 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 5568 1 809 . 1 1 73 73 LYS HE3 H 1 2.79 0.02 . 2 . . . . . . . . 5568 1 810 . 1 1 73 73 LYS C C 13 173.7 0.1 . 1 . . . . . . . . 5568 1 811 . 1 1 74 74 TYR N N 15 116.5 0.1 . 1 . . . . . . . . 5568 1 812 . 1 1 74 74 TYR H H 1 8.26 0.02 . 1 . . . . . . . . 5568 1 813 . 1 1 74 74 TYR CA C 13 55.3 0.1 . 1 . . . . . . . . 5568 1 814 . 1 1 74 74 TYR HA H 1 6.09 0.02 . 1 . . . . . . . . 5568 1 815 . 1 1 74 74 TYR CB C 13 42.1 0.1 . 1 . . . . . . . . 5568 1 816 . 1 1 74 74 TYR HB2 H 1 3.10 0.02 . 2 . . . . . . . . 5568 1 817 . 1 1 74 74 TYR HB3 H 1 2.83 0.02 . 2 . . . . . . . . 5568 1 818 . 1 1 74 74 TYR HD1 H 1 6.68 0.02 . 1 . . . . . . . . 5568 1 819 . 1 1 74 74 TYR HD2 H 1 6.68 0.02 . 1 . . . . . . . . 5568 1 820 . 1 1 74 74 TYR C C 13 174.3 0.1 . 1 . . . . . . . . 5568 1 821 . 1 1 75 75 GLU N N 15 118.8 0.1 . 1 . . . . . . . . 5568 1 822 . 1 1 75 75 GLU H H 1 8.66 0.02 . 1 . . . . . . . . 5568 1 823 . 1 1 75 75 GLU CA C 13 55.1 0.1 . 1 . . . . . . . . 5568 1 824 . 1 1 75 75 GLU HA H 1 4.66 0.02 . 1 . . . . . . . . 5568 1 825 . 1 1 75 75 GLU CB C 13 33.7 0.1 . 1 . . . . . . . . 5568 1 826 . 1 1 75 75 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5568 1 827 . 1 1 75 75 GLU HB3 H 1 1.84 0.02 . 2 . . . . . . . . 5568 1 828 . 1 1 75 75 GLU CG C 13 36.2 0.1 . 1 . . . . . . . . 5568 1 829 . 1 1 75 75 GLU HG2 H 1 2.13 0.02 . 1 . . . . . . . . 5568 1 830 . 1 1 75 75 GLU HG3 H 1 2.13 0.02 . 1 . . . . . . . . 5568 1 831 . 1 1 75 75 GLU C C 13 174.9 0.1 . 1 . . . . . . . . 5568 1 832 . 1 1 76 76 ILE CA C 13 61.8 0.1 . 1 . . . . . . . . 5568 1 833 . 1 1 76 76 ILE HA H 1 4.60 0.02 . 1 . . . . . . . . 5568 1 834 . 1 1 76 76 ILE CB C 13 39.3 0.1 . 1 . . . . . . . . 5568 1 835 . 1 1 76 76 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 5568 1 836 . 1 1 76 76 ILE HG21 H 1 0.85 0.02 . 1 . . . . . . . . 5568 1 837 . 1 1 76 76 ILE HG22 H 1 0.85 0.02 . 1 . . . . . . . . 5568 1 838 . 1 1 76 76 ILE HG23 H 1 0.85 0.02 . 1 . . . . . . . . 5568 1 839 . 1 1 76 76 ILE CG2 C 13 17.4 0.1 . 1 . . . . . . . . 5568 1 840 . 1 1 76 76 ILE CG1 C 13 28.3 0.1 . 1 . . . . . . . . 5568 1 841 . 1 1 76 76 ILE HG12 H 1 1.51 0.02 . 2 . . . . . . . . 5568 1 842 . 1 1 76 76 ILE HG13 H 1 0.77 0.02 . 2 . . . . . . . . 5568 1 843 . 1 1 76 76 ILE HD11 H 1 0.38 0.02 . 1 . . . . . . . . 5568 1 844 . 1 1 76 76 ILE HD12 H 1 0.38 0.02 . 1 . . . . . . . . 5568 1 845 . 1 1 76 76 ILE HD13 H 1 0.38 0.02 . 1 . . . . . . . . 5568 1 846 . 1 1 76 76 ILE CD1 C 13 13.3 0.1 . 1 . . . . . . . . 5568 1 847 . 1 1 76 76 ILE C C 13 175.7 0.1 . 1 . . . . . . . . 5568 1 848 . 1 1 77 77 SER N N 15 123.9 0.1 . 1 . . . . . . . . 5568 1 849 . 1 1 77 77 SER H H 1 9.08 0.02 . 1 . . . . . . . . 5568 1 850 . 1 1 77 77 SER CA C 13 57.0 0.1 . 1 . . . . . . . . 5568 1 851 . 1 1 77 77 SER HA H 1 5.04 0.02 . 1 . . . . . . . . 5568 1 852 . 1 1 77 77 SER CB C 13 65.0 0.1 . 1 . . . . . . . . 5568 1 853 . 1 1 77 77 SER HB2 H 1 4.14 0.02 . 2 . . . . . . . . 5568 1 854 . 1 1 77 77 SER HB3 H 1 4.06 0.02 . 2 . . . . . . . . 5568 1 855 . 1 1 77 77 SER C C 13 175.9 0.1 . 1 . . . . . . . . 5568 1 856 . 1 1 78 78 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5568 1 857 . 1 1 78 78 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 5568 1 858 . 1 1 78 78 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 5568 1 859 . 1 1 78 78 SER HB2 H 1 3.87 0.02 . 2 . . . . . . . . 5568 1 860 . 1 1 78 78 SER HB3 H 1 3.82 0.02 . 2 . . . . . . . . 5568 1 861 . 1 1 79 79 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 5568 1 862 . 1 1 79 79 ASP HA H 1 4.55 0.02 . 1 . . . . . . . . 5568 1 863 . 1 1 79 79 ASP CB C 13 40.5 0.1 . 1 . . . . . . . . 5568 1 864 . 1 1 79 79 ASP HB2 H 1 2.72 0.02 . 2 . . . . . . . . 5568 1 865 . 1 1 79 79 ASP HB3 H 1 2.64 0.02 . 2 . . . . . . . . 5568 1 866 . 1 1 79 79 ASP C C 13 176.2 0.1 . 1 . . . . . . . . 5568 1 867 . 1 1 80 80 GLY N N 15 105.34 0.1 . 1 . . . . . . . . 5568 1 868 . 1 1 80 80 GLY H H 1 7.63 0.02 . 1 . . . . . . . . 5568 1 869 . 1 1 80 80 GLY CA C 13 45.9 0.1 . 1 . . . . . . . . 5568 1 870 . 1 1 80 80 GLY C C 13 172.4 0.1 . 1 . . . . . . . . 5568 1 871 . 1 1 81 81 LEU N N 15 121.9 0.1 . 1 . . . . . . . . 5568 1 872 . 1 1 81 81 LEU H H 1 7.48 0.02 . 1 . . . . . . . . 5568 1 873 . 1 1 81 81 LEU CA C 13 54.1 0.1 . 1 . . . . . . . . 5568 1 874 . 1 1 81 81 LEU HA H 1 5.12 0.02 . 1 . . . . . . . . 5568 1 875 . 1 1 81 81 LEU CB C 13 45.1 0.1 . 1 . . . . . . . . 5568 1 876 . 1 1 81 81 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 5568 1 877 . 1 1 81 81 LEU HB3 H 1 1.34 0.02 . 2 . . . . . . . . 5568 1 878 . 1 1 81 81 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5568 1 879 . 1 1 81 81 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 5568 1 880 . 1 1 81 81 LEU CD1 C 13 23.9 0.1 . 1 . . . . . . . . 5568 1 881 . 1 1 81 81 LEU HD11 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 882 . 1 1 81 81 LEU HD12 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 883 . 1 1 81 81 LEU HD13 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 884 . 1 1 81 81 LEU HD21 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 885 . 1 1 81 81 LEU HD22 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 886 . 1 1 81 81 LEU HD23 H 1 0.84 0.02 . 1 . . . . . . . . 5568 1 887 . 1 1 81 81 LEU C C 13 175.2 0.1 . 1 . . . . . . . . 5568 1 888 . 1 1 82 82 ILE N N 15 126.0 0.1 . 1 . . . . . . . . 5568 1 889 . 1 1 82 82 ILE H H 1 9.11 0.02 . 1 . . . . . . . . 5568 1 890 . 1 1 82 82 ILE CA C 13 60.1 0.1 . 1 . . . . . . . . 5568 1 891 . 1 1 82 82 ILE HA H 1 5.01 0.02 . 1 . . . . . . . . 5568 1 892 . 1 1 82 82 ILE CB C 13 40.7 0.1 . 1 . . . . . . . . 5568 1 893 . 1 1 82 82 ILE HB H 1 1.72 0.02 . 1 . . . . . . . . 5568 1 894 . 1 1 82 82 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 5568 1 895 . 1 1 82 82 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 5568 1 896 . 1 1 82 82 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 5568 1 897 . 1 1 82 82 ILE CG2 C 13 17.7 0.1 . 1 . . . . . . . . 5568 1 898 . 1 1 82 82 ILE CG1 C 13 28.2 0.1 . 1 . . . . . . . . 5568 1 899 . 1 1 82 82 ILE HG12 H 1 1.79 0.02 . 2 . . . . . . . . 5568 1 900 . 1 1 82 82 ILE HG13 H 1 1.10 0.02 . 2 . . . . . . . . 5568 1 901 . 1 1 82 82 ILE HD11 H 1 0.65 0.02 . 1 . . . . . . . . 5568 1 902 . 1 1 82 82 ILE HD12 H 1 0.65 0.02 . 1 . . . . . . . . 5568 1 903 . 1 1 82 82 ILE HD13 H 1 0.65 0.02 . 1 . . . . . . . . 5568 1 904 . 1 1 82 82 ILE CD1 C 13 15.3 0.1 . 1 . . . . . . . . 5568 1 905 . 1 1 82 82 ILE C C 13 174.6 0.1 . 1 . . . . . . . . 5568 1 906 . 1 1 83 83 VAL N N 15 127.6 0.1 . 1 . . . . . . . . 5568 1 907 . 1 1 83 83 VAL H H 1 8.97 0.02 . 1 . . . . . . . . 5568 1 908 . 1 1 83 83 VAL CA C 13 62.1 0.1 . 1 . . . . . . . . 5568 1 909 . 1 1 83 83 VAL HA H 1 4.58 0.02 . 1 . . . . . . . . 5568 1 910 . 1 1 83 83 VAL CB C 13 33.3 0.1 . 1 . . . . . . . . 5568 1 911 . 1 1 83 83 VAL HB H 1 2.03 0.02 . 1 . . . . . . . . 5568 1 912 . 1 1 83 83 VAL HG11 H 1 0.95 0.02 . 2 . . . . . . . . 5568 1 913 . 1 1 83 83 VAL HG12 H 1 0.95 0.02 . 2 . . . . . . . . 5568 1 914 . 1 1 83 83 VAL HG13 H 1 0.95 0.02 . 2 . . . . . . . . 5568 1 915 . 1 1 83 83 VAL HG21 H 1 0.85 0.02 . 2 . . . . . . . . 5568 1 916 . 1 1 83 83 VAL HG22 H 1 0.85 0.02 . 2 . . . . . . . . 5568 1 917 . 1 1 83 83 VAL HG23 H 1 0.85 0.02 . 2 . . . . . . . . 5568 1 918 . 1 1 83 83 VAL CG1 C 13 21.4 0.1 . 1 . . . . . . . . 5568 1 919 . 1 1 83 83 VAL CG2 C 13 22.1 0.1 . 1 . . . . . . . . 5568 1 920 . 1 1 83 83 VAL C C 13 173.9 0.1 . 1 . . . . . . . . 5568 1 921 . 1 1 84 84 LEU N N 15 131.4 0.1 . 1 . . . . . . . . 5568 1 922 . 1 1 84 84 LEU H H 1 9.45 0.02 . 1 . . . . . . . . 5568 1 923 . 1 1 84 84 LEU CA C 13 53.8 0.1 . 1 . . . . . . . . 5568 1 924 . 1 1 84 84 LEU HA H 1 5.15 0.02 . 1 . . . . . . . . 5568 1 925 . 1 1 84 84 LEU CB C 13 45.4 0.1 . 1 . . . . . . . . 5568 1 926 . 1 1 84 84 LEU HB2 H 1 2.19 0.02 . 2 . . . . . . . . 5568 1 927 . 1 1 84 84 LEU HB3 H 1 1.33 0.02 . 2 . . . . . . . . 5568 1 928 . 1 1 84 84 LEU CG C 13 28.4 0.1 . 1 . . . . . . . . 5568 1 929 . 1 1 84 84 LEU HG H 1 1.20 0.02 . 1 . . . . . . . . 5568 1 930 . 1 1 84 84 LEU CD1 C 13 25.2 0.1 . 1 . . . . . . . . 5568 1 931 . 1 1 84 84 LEU HD11 H 1 1.24 0.02 . 1 . . . . . . . . 5568 1 932 . 1 1 84 84 LEU HD12 H 1 1.24 0.02 . 1 . . . . . . . . 5568 1 933 . 1 1 84 84 LEU HD13 H 1 1.24 0.02 . 1 . . . . . . . . 5568 1 934 . 1 1 84 84 LEU HD21 H 1 1.24 0.02 . 1 . . . . . . . . 5568 1 935 . 1 1 84 84 LEU HD22 H 1 1.24 0.02 . 1 . . . . . . . . 5568 1 936 . 1 1 84 84 LEU HD23 H 1 1.24 0.02 . 1 . . . . . . . . 5568 1 937 . 1 1 84 84 LEU C C 13 173.8 0.1 . 1 . . . . . . . . 5568 1 938 . 1 1 85 85 MET N N 15 124.9 0.1 . 1 . . . . . . . . 5568 1 939 . 1 1 85 85 MET H H 1 9.27 0.02 . 1 . . . . . . . . 5568 1 940 . 1 1 85 85 MET CA C 13 54.5 0.1 . 1 . . . . . . . . 5568 1 941 . 1 1 85 85 MET HA H 1 5.08 0.02 . 1 . . . . . . . . 5568 1 942 . 1 1 85 85 MET CB C 13 35.3 0.1 . 1 . . . . . . . . 5568 1 943 . 1 1 85 85 MET HB2 H 1 1.80 0.02 . 1 . . . . . . . . 5568 1 944 . 1 1 85 85 MET HB3 H 1 1.80 0.02 . 1 . . . . . . . . 5568 1 945 . 1 1 85 85 MET CG C 13 32.5 0.1 . 1 . . . . . . . . 5568 1 946 . 1 1 85 85 MET HG2 H 1 2.11 0.02 . 1 . . . . . . . . 5568 1 947 . 1 1 85 85 MET HG3 H 1 2.11 0.02 . 1 . . . . . . . . 5568 1 948 . 1 1 85 85 MET HE1 H 1 1.63 0.02 . 1 . . . . . . . . 5568 1 949 . 1 1 85 85 MET HE2 H 1 1.63 0.02 . 1 . . . . . . . . 5568 1 950 . 1 1 85 85 MET HE3 H 1 1.63 0.02 . 1 . . . . . . . . 5568 1 951 . 1 1 85 85 MET CE C 13 17.0 0.1 . 1 . . . . . . . . 5568 1 952 . 1 1 85 85 MET C C 13 174.9 0.1 . 1 . . . . . . . . 5568 1 953 . 1 1 86 86 LEU N N 15 126.0 0.1 . 1 . . . . . . . . 5568 1 954 . 1 1 86 86 LEU H H 1 8.99 0.02 . 1 . . . . . . . . 5568 1 955 . 1 1 86 86 LEU CA C 13 54.5 0.1 . 1 . . . . . . . . 5568 1 956 . 1 1 86 86 LEU HA H 1 5.08 0.02 . 1 . . . . . . . . 5568 1 957 . 1 1 86 86 LEU CB C 13 44.1 0.1 . 1 . . . . . . . . 5568 1 958 . 1 1 86 86 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 5568 1 959 . 1 1 86 86 LEU HB3 H 1 1.58 0.02 . 2 . . . . . . . . 5568 1 960 . 1 1 86 86 LEU CG C 13 28.8 0.1 . 1 . . . . . . . . 5568 1 961 . 1 1 86 86 LEU HG H 1 1.67 0.02 . 1 . . . . . . . . 5568 1 962 . 1 1 86 86 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 5568 1 963 . 1 1 86 86 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 5568 1 964 . 1 1 86 86 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 5568 1 965 . 1 1 86 86 LEU HD21 H 1 0.79 0.02 . 2 . . . . . . . . 5568 1 966 . 1 1 86 86 LEU HD22 H 1 0.79 0.02 . 2 . . . . . . . . 5568 1 967 . 1 1 86 86 LEU HD23 H 1 0.79 0.02 . 2 . . . . . . . . 5568 1 968 . 1 1 86 86 LEU CD1 C 13 26.6 0.1 . 1 . . . . . . . . 5568 1 969 . 1 1 86 86 LEU CD2 C 13 26.6 0.1 . 1 . . . . . . . . 5568 1 970 . 1 1 86 86 LEU C C 13 175.5 0.1 . 1 . . . . . . . . 5568 1 971 . 1 1 87 87 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 5568 1 972 . 1 1 87 87 ASP H H 1 8.26 0.02 . 1 . . . . . . . . 5568 1 973 . 1 1 87 87 ASP CA C 13 54.7 0.1 . 1 . . . . . . . . 5568 1 974 . 1 1 87 87 ASP HA H 1 4.86 0.02 . 1 . . . . . . . . 5568 1 975 . 1 1 87 87 ASP CB C 13 41.7 0.1 . 1 . . . . . . . . 5568 1 976 . 1 1 87 87 ASP HB2 H 1 3.16 0.02 . 2 . . . . . . . . 5568 1 977 . 1 1 87 87 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 5568 1 978 . 1 1 87 87 ASP C C 13 176.9 0.1 . 1 . . . . . . . . 5568 1 979 . 1 1 88 88 LYS N N 15 123.1 0.1 . 1 . . . . . . . . 5568 1 980 . 1 1 88 88 LYS H H 1 8.85 0.02 . 1 . . . . . . . . 5568 1 981 . 1 1 88 88 LYS CA C 13 58.9 0.1 . 1 . . . . . . . . 5568 1 982 . 1 1 88 88 LYS HA H 1 3.94 0.02 . 1 . . . . . . . . 5568 1 983 . 1 1 88 88 LYS CB C 13 32.6 0.1 . 1 . . . . . . . . 5568 1 984 . 1 1 88 88 LYS HB2 H 1 1.90 0.02 . 2 . . . . . . . . 5568 1 985 . 1 1 88 88 LYS HB3 H 1 1.81 0.02 . 2 . . . . . . . . 5568 1 986 . 1 1 88 88 LYS CG C 13 25.1 0.1 . 1 . . . . . . . . 5568 1 987 . 1 1 88 88 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 5568 1 988 . 1 1 88 88 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 5568 1 989 . 1 1 88 88 LYS CD C 13 29.3 0.1 . 1 . . . . . . . . 5568 1 990 . 1 1 88 88 LYS HD2 H 1 1.79 0.02 . 1 . . . . . . . . 5568 1 991 . 1 1 88 88 LYS HD3 H 1 1.79 0.02 . 1 . . . . . . . . 5568 1 992 . 1 1 88 88 LYS CE C 13 42.4 0.1 . 1 . . . . . . . . 5568 1 993 . 1 1 88 88 LYS HE2 H 1 2.97 0.02 . 1 . . . . . . . . 5568 1 994 . 1 1 88 88 LYS HE3 H 1 2.97 0.02 . 1 . . . . . . . . 5568 1 995 . 1 1 88 88 LYS C C 13 178.3 0.1 . 1 . . . . . . . . 5568 1 996 . 1 1 89 89 GLU N N 15 117.4 0.1 . 1 . . . . . . . . 5568 1 997 . 1 1 89 89 GLU H H 1 9.03 0.02 . 1 . . . . . . . . 5568 1 998 . 1 1 89 89 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5568 1 999 . 1 1 89 89 GLU HA H 1 4.11 0.02 . 1 . . . . . . . . 5568 1 1000 . 1 1 89 89 GLU CB C 13 30.0 0.1 . 1 . . . . . . . . 5568 1 1001 . 1 1 89 89 GLU HB2 H 1 1.89 0.02 . 2 . . . . . . . . 5568 1 1002 . 1 1 89 89 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5568 1 1003 . 1 1 89 89 GLU CG C 13 36.7 0.1 . 1 . . . . . . . . 5568 1 1004 . 1 1 89 89 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 5568 1 1005 . 1 1 89 89 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 5568 1 1006 . 1 1 89 89 GLU C C 13 177.7 0.1 . 1 . . . . . . . . 5568 1 1007 . 1 1 90 90 ILE N N 15 111.2 0.1 . 1 . . . . . . . . 5568 1 1008 . 1 1 90 90 ILE H H 1 7.75 0.02 . 1 . . . . . . . . 5568 1 1009 . 1 1 90 90 ILE CA C 13 59.7 0.1 . 1 . . . . . . . . 5568 1 1010 . 1 1 90 90 ILE HA H 1 4.92 0.02 . 1 . . . . . . . . 5568 1 1011 . 1 1 90 90 ILE CB C 13 37.3 0.1 . 1 . . . . . . . . 5568 1 1012 . 1 1 90 90 ILE HB H 1 2.15 0.02 . 1 . . . . . . . . 5568 1 1013 . 1 1 90 90 ILE HG21 H 1 0.65 0.02 . 1 . . . . . . . . 5568 1 1014 . 1 1 90 90 ILE HG22 H 1 0.65 0.02 . 1 . . . . . . . . 5568 1 1015 . 1 1 90 90 ILE HG23 H 1 0.65 0.02 . 1 . . . . . . . . 5568 1 1016 . 1 1 90 90 ILE CG2 C 13 17.9 0.1 . 1 . . . . . . . . 5568 1 1017 . 1 1 90 90 ILE CG1 C 13 28.3 0.1 . 1 . . . . . . . . 5568 1 1018 . 1 1 90 90 ILE HG12 H 1 1.70 0.02 . 2 . . . . . . . . 5568 1 1019 . 1 1 90 90 ILE HG13 H 1 0.98 0.02 . 2 . . . . . . . . 5568 1 1020 . 1 1 90 90 ILE HD11 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 1021 . 1 1 90 90 ILE HD12 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 1022 . 1 1 90 90 ILE HD13 H 1 0.87 0.02 . 1 . . . . . . . . 5568 1 1023 . 1 1 90 90 ILE CD1 C 13 16.6 0.1 . 1 . . . . . . . . 5568 1 1024 . 1 1 90 90 ILE C C 13 176.2 0.1 . 1 . . . . . . . . 5568 1 1025 . 1 1 91 91 GLU N N 15 121.3 0.1 . 1 . . . . . . . . 5568 1 1026 . 1 1 91 91 GLU H H 1 7.39 0.02 . 1 . . . . . . . . 5568 1 1027 . 1 1 91 91 GLU CA C 13 60.0 0.1 . 1 . . . . . . . . 5568 1 1028 . 1 1 91 91 GLU HA H 1 3.85 0.02 . 1 . . . . . . . . 5568 1 1029 . 1 1 91 91 GLU CB C 13 29.8 0.1 . 1 . . . . . . . . 5568 1 1030 . 1 1 91 91 GLU HB2 H 1 2.33 0.02 . 2 . . . . . . . . 5568 1 1031 . 1 1 91 91 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 5568 1 1032 . 1 1 91 91 GLU CG C 13 35.3 0.1 . 1 . . . . . . . . 5568 1 1033 . 1 1 91 91 GLU HG2 H 1 2.36 0.02 . 2 . . . . . . . . 5568 1 1034 . 1 1 91 91 GLU HG3 H 1 2.23 0.02 . 2 . . . . . . . . 5568 1 1035 . 1 1 91 91 GLU C C 13 177.9 0.1 . 1 . . . . . . . . 5568 1 1036 . 1 1 92 92 GLU N N 15 119.8 0.1 . 1 . . . . . . . . 5568 1 1037 . 1 1 92 92 GLU H H 1 9.26 0.02 . 1 . . . . . . . . 5568 1 1038 . 1 1 92 92 GLU CA C 13 59.0 0.1 . 1 . . . . . . . . 5568 1 1039 . 1 1 92 92 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 5568 1 1040 . 1 1 92 92 GLU CB C 13 28.6 0.1 . 1 . . . . . . . . 5568 1 1041 . 1 1 92 92 GLU HB2 H 1 2.09 0.02 . 1 . . . . . . . . 5568 1 1042 . 1 1 92 92 GLU HB3 H 1 2.09 0.02 . 1 . . . . . . . . 5568 1 1043 . 1 1 92 92 GLU CG C 13 36.0 0.1 . 1 . . . . . . . . 5568 1 1044 . 1 1 92 92 GLU HG2 H 1 2.28 0.02 . 1 . . . . . . . . 5568 1 1045 . 1 1 92 92 GLU HG3 H 1 2.28 0.02 . 1 . . . . . . . . 5568 1 1046 . 1 1 92 92 GLU C C 13 178.1 0.1 . 1 . . . . . . . . 5568 1 1047 . 1 1 93 93 VAL N N 15 121.6 0.1 . 1 . . . . . . . . 5568 1 1048 . 1 1 93 93 VAL H H 1 8.80 0.02 . 1 . . . . . . . . 5568 1 1049 . 1 1 93 93 VAL CA C 13 64.6 0.1 . 1 . . . . . . . . 5568 1 1050 . 1 1 93 93 VAL HA H 1 3.71 0.02 . 1 . . . . . . . . 5568 1 1051 . 1 1 93 93 VAL CB C 13 31.3 0.1 . 1 . . . . . . . . 5568 1 1052 . 1 1 93 93 VAL HB H 1 2.43 0.02 . 1 . . . . . . . . 5568 1 1053 . 1 1 93 93 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 5568 1 1054 . 1 1 93 93 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 5568 1 1055 . 1 1 93 93 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5568 1 1056 . 1 1 93 93 VAL HG21 H 1 1.11 0.02 . 2 . . . . . . . . 5568 1 1057 . 1 1 93 93 VAL HG22 H 1 1.11 0.02 . 2 . . . . . . . . 5568 1 1058 . 1 1 93 93 VAL HG23 H 1 1.11 0.02 . 2 . . . . . . . . 5568 1 1059 . 1 1 93 93 VAL CG1 C 13 22.2 0.1 . 1 . . . . . . . . 5568 1 1060 . 1 1 93 93 VAL CG2 C 13 25.4 0.1 . 1 . . . . . . . . 5568 1 1061 . 1 1 93 93 VAL C C 13 177.1 0.1 . 1 . . . . . . . . 5568 1 1062 . 1 1 94 94 VAL N N 15 122.5 0.1 . 1 . . . . . . . . 5568 1 1063 . 1 1 94 94 VAL H H 1 8.10 0.02 . 1 . . . . . . . . 5568 1 1064 . 1 1 94 94 VAL CA C 13 68.3 0.1 . 1 . . . . . . . . 5568 1 1065 . 1 1 94 94 VAL HA H 1 3.31 0.02 . 1 . . . . . . . . 5568 1 1066 . 1 1 94 94 VAL CB C 13 31.5 0.1 . 1 . . . . . . . . 5568 1 1067 . 1 1 94 94 VAL HB H 1 2.25 0.02 . 1 . . . . . . . . 5568 1 1068 . 1 1 94 94 VAL HG11 H 1 0.93 0.02 . 2 . . . . . . . . 5568 1 1069 . 1 1 94 94 VAL HG12 H 1 0.93 0.02 . 2 . . . . . . . . 5568 1 1070 . 1 1 94 94 VAL HG13 H 1 0.93 0.02 . 2 . . . . . . . . 5568 1 1071 . 1 1 94 94 VAL HG21 H 1 1.12 0.02 . 2 . . . . . . . . 5568 1 1072 . 1 1 94 94 VAL HG22 H 1 1.12 0.02 . 2 . . . . . . . . 5568 1 1073 . 1 1 94 94 VAL HG23 H 1 1.12 0.02 . 2 . . . . . . . . 5568 1 1074 . 1 1 94 94 VAL CG1 C 13 21.8 0.1 . 1 . . . . . . . . 5568 1 1075 . 1 1 94 94 VAL CG2 C 13 24.1 0.1 . 1 . . . . . . . . 5568 1 1076 . 1 1 94 94 VAL C C 13 177.8 0.1 . 1 . . . . . . . . 5568 1 1077 . 1 1 95 95 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 5568 1 1078 . 1 1 95 95 GLU H H 1 7.66 0.02 . 1 . . . . . . . . 5568 1 1079 . 1 1 95 95 GLU CA C 13 59.4 0.1 . 1 . . . . . . . . 5568 1 1080 . 1 1 95 95 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 5568 1 1081 . 1 1 95 95 GLU CB C 13 29.5 0.1 . 1 . . . . . . . . 5568 1 1082 . 1 1 95 95 GLU HB2 H 1 2.10 0.02 . 1 . . . . . . . . 5568 1 1083 . 1 1 95 95 GLU HB3 H 1 2.10 0.02 . 1 . . . . . . . . 5568 1 1084 . 1 1 95 95 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 5568 1 1085 . 1 1 95 95 GLU HG2 H 1 2.39 0.02 . 2 . . . . . . . . 5568 1 1086 . 1 1 95 95 GLU HG3 H 1 2.33 0.02 . 2 . . . . . . . . 5568 1 1087 . 1 1 95 95 GLU C C 13 179.0 0.1 . 1 . . . . . . . . 5568 1 1088 . 1 1 96 96 LYS N N 15 118.6 0.1 . 1 . . . . . . . . 5568 1 1089 . 1 1 96 96 LYS H H 1 7.10 0.02 . 1 . . . . . . . . 5568 1 1090 . 1 1 96 96 LYS CA C 13 58.9 0.1 . 1 . . . . . . . . 5568 1 1091 . 1 1 96 96 LYS HA H 1 4.11 0.02 . 1 . . . . . . . . 5568 1 1092 . 1 1 96 96 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5568 1 1093 . 1 1 96 96 LYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 5568 1 1094 . 1 1 96 96 LYS HB3 H 1 1.90 0.02 . 2 . . . . . . . . 5568 1 1095 . 1 1 96 96 LYS HG2 H 1 1.67 0.02 . 2 . . . . . . . . 5568 1 1096 . 1 1 96 96 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 5568 1 1097 . 1 1 96 96 LYS CE C 13 41.8 0.1 . 1 . . . . . . . . 5568 1 1098 . 1 1 96 96 LYS C C 13 179.6 0.1 . 1 . . . . . . . . 5568 1 1099 . 1 1 97 97 VAL N N 15 121.9 0.1 . 1 . . . . . . . . 5568 1 1100 . 1 1 97 97 VAL H H 1 8.38 0.02 . 1 . . . . . . . . 5568 1 1101 . 1 1 97 97 VAL CA C 13 67.3 0.1 . 1 . . . . . . . . 5568 1 1102 . 1 1 97 97 VAL HA H 1 3.53 0.02 . 1 . . . . . . . . 5568 1 1103 . 1 1 97 97 VAL CB C 13 31.6 0.1 . 1 . . . . . . . . 5568 1 1104 . 1 1 97 97 VAL HB H 1 2.43 0.02 . 1 . . . . . . . . 5568 1 1105 . 1 1 97 97 VAL HG11 H 1 0.97 0.02 . 2 . . . . . . . . 5568 1 1106 . 1 1 97 97 VAL HG12 H 1 0.97 0.02 . 2 . . . . . . . . 5568 1 1107 . 1 1 97 97 VAL HG13 H 1 0.97 0.02 . 2 . . . . . . . . 5568 1 1108 . 1 1 97 97 VAL HG21 H 1 1.07 0.02 . 2 . . . . . . . . 5568 1 1109 . 1 1 97 97 VAL HG22 H 1 1.07 0.02 . 2 . . . . . . . . 5568 1 1110 . 1 1 97 97 VAL HG23 H 1 1.07 0.02 . 2 . . . . . . . . 5568 1 1111 . 1 1 97 97 VAL CG1 C 13 21.5 0.1 . 1 . . . . . . . . 5568 1 1112 . 1 1 97 97 VAL CG2 C 13 23.7 0.1 . 1 . . . . . . . . 5568 1 1113 . 1 1 97 97 VAL C C 13 177.0 0.1 . 1 . . . . . . . . 5568 1 1114 . 1 1 98 98 LYS N N 15 118.3 0.1 . 1 . . . . . . . . 5568 1 1115 . 1 1 98 98 LYS H H 1 8.07 0.02 . 1 . . . . . . . . 5568 1 1116 . 1 1 98 98 LYS CA C 13 60.9 0.1 . 1 . . . . . . . . 5568 1 1117 . 1 1 98 98 LYS HA H 1 3.86 0.02 . 1 . . . . . . . . 5568 1 1118 . 1 1 98 98 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5568 1 1119 . 1 1 98 98 LYS HB2 H 1 1.97 0.02 . 2 . . . . . . . . 5568 1 1120 . 1 1 98 98 LYS HB3 H 1 1.86 0.02 . 2 . . . . . . . . 5568 1 1121 . 1 1 98 98 LYS CG C 13 26.1 0.1 . 1 . . . . . . . . 5568 1 1122 . 1 1 98 98 LYS HG2 H 1 1.63 0.02 . 2 . . . . . . . . 5568 1 1123 . 1 1 98 98 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 5568 1 1124 . 1 1 98 98 LYS CD C 13 29.7 0.1 . 1 . . . . . . . . 5568 1 1125 . 1 1 98 98 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 5568 1 1126 . 1 1 98 98 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 5568 1 1127 . 1 1 98 98 LYS CE C 13 41.7 0.1 . 1 . . . . . . . . 5568 1 1128 . 1 1 98 98 LYS HE2 H 1 2.92 0.02 . 2 . . . . . . . . 5568 1 1129 . 1 1 98 98 LYS HE3 H 1 2.79 0.02 . 2 . . . . . . . . 5568 1 1130 . 1 1 98 98 LYS C C 13 179.1 0.1 . 1 . . . . . . . . 5568 1 1131 . 1 1 99 99 LYS N N 15 119.0 0.1 . 1 . . . . . . . . 5568 1 1132 . 1 1 99 99 LYS H H 1 7.93 0.02 . 1 . . . . . . . . 5568 1 1133 . 1 1 99 99 LYS CA C 13 59.0 0.1 . 1 . . . . . . . . 5568 1 1134 . 1 1 99 99 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5568 1 1135 . 1 1 99 99 LYS CB C 13 32.5 0.1 . 1 . . . . . . . . 5568 1 1136 . 1 1 99 99 LYS HB2 H 1 1.96 0.02 . 2 . . . . . . . . 5568 1 1137 . 1 1 99 99 LYS HB3 H 1 1.87 0.02 . 2 . . . . . . . . 5568 1 1138 . 1 1 99 99 LYS CG C 13 24.7 0.1 . 1 . . . . . . . . 5568 1 1139 . 1 1 99 99 LYS HG2 H 1 1.52 0.02 . 2 . . . . . . . . 5568 1 1140 . 1 1 99 99 LYS HG3 H 1 1.42 0.02 . 2 . . . . . . . . 5568 1 1141 . 1 1 99 99 LYS CD C 13 29.3 0.1 . 1 . . . . . . . . 5568 1 1142 . 1 1 99 99 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 5568 1 1143 . 1 1 99 99 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 5568 1 1144 . 1 1 99 99 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5568 1 1145 . 1 1 99 99 LYS HE2 H 1 2.98 0.02 . 1 . . . . . . . . 5568 1 1146 . 1 1 99 99 LYS HE3 H 1 2.98 0.02 . 1 . . . . . . . . 5568 1 1147 . 1 1 99 99 LYS C C 13 177.4 0.1 . 1 . . . . . . . . 5568 1 1148 . 1 1 100 100 PHE N N 15 120.2 0.1 . 1 . . . . . . . . 5568 1 1149 . 1 1 100 100 PHE H H 1 8.29 0.02 . 1 . . . . . . . . 5568 1 1150 . 1 1 100 100 PHE CA C 13 61.9 0.1 . 1 . . . . . . . . 5568 1 1151 . 1 1 100 100 PHE HA H 1 4.05 0.02 . 1 . . . . . . . . 5568 1 1152 . 1 1 100 100 PHE CB C 13 39.6 0.1 . 1 . . . . . . . . 5568 1 1153 . 1 1 100 100 PHE HB2 H 1 3.41 0.02 . 2 . . . . . . . . 5568 1 1154 . 1 1 100 100 PHE HB3 H 1 3.10 0.02 . 2 . . . . . . . . 5568 1 1155 . 1 1 100 100 PHE HD1 H 1 6.69 0.02 . 1 . . . . . . . . 5568 1 1156 . 1 1 100 100 PHE HD2 H 1 6.69 0.02 . 1 . . . . . . . . 5568 1 1157 . 1 1 100 100 PHE HE1 H 1 6.95 0.02 . 1 . . . . . . . . 5568 1 1158 . 1 1 100 100 PHE HE2 H 1 6.95 0.02 . 1 . . . . . . . . 5568 1 1159 . 1 1 100 100 PHE C C 13 179.1 0.1 . 1 . . . . . . . . 5568 1 1160 . 1 1 101 101 VAL N N 15 119.0 0.1 . 1 . . . . . . . . 5568 1 1161 . 1 1 101 101 VAL H H 1 8.47 0.02 . 1 . . . . . . . . 5568 1 1162 . 1 1 101 101 VAL CA C 13 66.7 0.1 . 1 . . . . . . . . 5568 1 1163 . 1 1 101 101 VAL HA H 1 3.93 0.02 . 1 . . . . . . . . 5568 1 1164 . 1 1 101 101 VAL CB C 13 31.8 0.1 . 1 . . . . . . . . 5568 1 1165 . 1 1 101 101 VAL HB H 1 2.34 0.02 . 1 . . . . . . . . 5568 1 1166 . 1 1 101 101 VAL HG11 H 1 1.07 0.02 . 2 . . . . . . . . 5568 1 1167 . 1 1 101 101 VAL HG12 H 1 1.07 0.02 . 2 . . . . . . . . 5568 1 1168 . 1 1 101 101 VAL HG13 H 1 1.07 0.02 . 2 . . . . . . . . 5568 1 1169 . 1 1 101 101 VAL HG21 H 1 1.34 0.02 . 2 . . . . . . . . 5568 1 1170 . 1 1 101 101 VAL HG22 H 1 1.34 0.02 . 2 . . . . . . . . 5568 1 1171 . 1 1 101 101 VAL HG23 H 1 1.34 0.02 . 2 . . . . . . . . 5568 1 1172 . 1 1 101 101 VAL CG1 C 13 22.0 0.1 . 1 . . . . . . . . 5568 1 1173 . 1 1 101 101 VAL CG2 C 13 23.5 0.1 . 1 . . . . . . . . 5568 1 1174 . 1 1 101 101 VAL C C 13 177.9 0.1 . 1 . . . . . . . . 5568 1 1175 . 1 1 102 102 GLU N N 15 118.6 0.1 . 1 . . . . . . . . 5568 1 1176 . 1 1 102 102 GLU H H 1 7.94 0.02 . 1 . . . . . . . . 5568 1 1177 . 1 1 102 102 GLU CA C 13 59.3 0.1 . 1 . . . . . . . . 5568 1 1178 . 1 1 102 102 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 5568 1 1179 . 1 1 102 102 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5568 1 1180 . 1 1 102 102 GLU HB2 H 1 2.20 0.02 . 2 . . . . . . . . 5568 1 1181 . 1 1 102 102 GLU HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5568 1 1182 . 1 1 102 102 GLU CG C 13 36.5 0.1 . 1 . . . . . . . . 5568 1 1183 . 1 1 102 102 GLU HG2 H 1 2.44 0.02 . 1 . . . . . . . . 5568 1 1184 . 1 1 102 102 GLU HG3 H 1 2.44 0.02 . 1 . . . . . . . . 5568 1 1185 . 1 1 102 102 GLU C C 13 178.6 0.1 . 1 . . . . . . . . 5568 1 1186 . 1 1 103 103 GLU N N 15 115.4 0.1 . 1 . . . . . . . . 5568 1 1187 . 1 1 103 103 GLU H H 1 8.05 0.02 . 1 . . . . . . . . 5568 1 1188 . 1 1 103 103 GLU CA C 13 57.6 0.1 . 1 . . . . . . . . 5568 1 1189 . 1 1 103 103 GLU HA H 1 4.17 0.02 . 1 . . . . . . . . 5568 1 1190 . 1 1 103 103 GLU CB C 13 30.4 0.1 . 1 . . . . . . . . 5568 1 1191 . 1 1 103 103 GLU HB2 H 1 1.98 0.02 . 2 . . . . . . . . 5568 1 1192 . 1 1 103 103 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 5568 1 1193 . 1 1 103 103 GLU CG C 13 36.9 0.1 . 1 . . . . . . . . 5568 1 1194 . 1 1 103 103 GLU HG2 H 1 2.43 0.02 . 2 . . . . . . . . 5568 1 1195 . 1 1 103 103 GLU HG3 H 1 2.18 0.02 . 2 . . . . . . . . 5568 1 1196 . 1 1 103 103 GLU C C 13 176.9 0.1 . 1 . . . . . . . . 5568 1 1197 . 1 1 104 104 ASN N N 15 119.0 0.1 . 1 . . . . . . . . 5568 1 1198 . 1 1 104 104 ASN H H 1 7.55 0.02 . 1 . . . . . . . . 5568 1 1199 . 1 1 104 104 ASN CA C 13 53.6 0.1 . 1 . . . . . . . . 5568 1 1200 . 1 1 104 104 ASN HA H 1 4.87 0.02 . 1 . . . . . . . . 5568 1 1201 . 1 1 104 104 ASN CB C 13 39.1 0.1 . 1 . . . . . . . . 5568 1 1202 . 1 1 104 104 ASN HB2 H 1 2.40 0.02 . 2 . . . . . . . . 5568 1 1203 . 1 1 104 104 ASN HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5568 1 1204 . 1 1 104 104 ASN ND2 N 15 117.1 0.1 . 1 . . . . . . . . 5568 1 1205 . 1 1 104 104 ASN HD21 H 1 6.71 0.02 . 1 . . . . . . . . 5568 1 1206 . 1 1 104 104 ASN HD22 H 1 6.71 0.02 . 1 . . . . . . . . 5568 1 1207 . 1 1 104 104 ASN C C 13 173.4 0.1 . 1 . . . . . . . . 5568 1 1208 . 1 1 105 105 ASN N N 15 125.7 0.1 . 1 . . . . . . . . 5568 1 1209 . 1 1 105 105 ASN H H 1 7.68 0.02 . 1 . . . . . . . . 5568 1 1210 . 1 1 105 105 ASN CA C 13 54.5 0.1 . 1 . . . . . . . . 5568 1 1211 . 1 1 105 105 ASN HA H 1 4.55 0.02 . 1 . . . . . . . . 5568 1 1212 . 1 1 105 105 ASN CB C 13 40.1 0.1 . 1 . . . . . . . . 5568 1 1213 . 1 1 105 105 ASN HB2 H 1 2.78 0.02 . 1 . . . . . . . . 5568 1 1214 . 1 1 105 105 ASN HB3 H 1 2.78 0.02 . 1 . . . . . . . . 5568 1 1215 . 1 1 105 105 ASN ND2 N 15 111.4 0.1 . 1 . . . . . . . . 5568 1 1216 . 1 1 105 105 ASN HD21 H 1 7.34 0.02 . 2 . . . . . . . . 5568 1 1217 . 1 1 105 105 ASN HD22 H 1 6.62 0.02 . 2 . . . . . . . . 5568 1 1218 . 1 1 105 105 ASN C C 13 179.5 0.1 . 1 . . . . . . . . 5568 1 stop_ save_